UCSF

ZINC01531872

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 23 No

Popular Name: (+)-pisatin (+)-pisatin

Find On: PubMed — Wikipedia — Google

CAS Number: 469-01-2

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) 2.55 -2.92 -10.02 1 6 0 66 314.293 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0497865A1; EP0497865B1; EP0497912A1; EP0497912B1; US5312912; US5696094; US5792647; US5985644; WO1991006312A1; WO1991006313A1; WO1996006531A1; WO1996025424A1; WO2000038513A1; WO2000056762A2; WO2000071736A1 IBM Patent Data
UniProt Database Links I4OMT_MEDTR; IFR_PEA; M3OM1_PEA; M3OM2_PEA; PID6_FUSSO; PID9_FUSSO ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )