UCSF

ZINC01628352

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 1H-INDOL-3-OL 1H-INDOL-3-OL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3260-61-5 , 480-93-3 , N/A

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 1.63 -6.81 2 2 0 36 133.15 0 ↓
Ref Reference (pH 7) 1.13 2.73 -7.33 1 2 0 29 133.15 0 ↓
Hi High (pH 8-9.5) 1.87 2.36 -51.37 1 2 -1 39 132.142 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0697172A1; US5599832 IBM Patent Data
PUBCHEM_PATENT_ID EP1042315A1; WO1999031087A1; WO1999053920A1 IBM Patent Data
UniProt Database Links PDGFC_RAT; PIGM_RHOER; ROB1_AGRRH; S226A_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT; S22A8_MACFA; S22A8_RAT ChEBI

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