UCSF

ZINC03943562

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 43 No

Popular Name: ORG-9487 ORG-9487

Find On: PubMed — Wikipedia — Google

CAS Number: 156137-99-4

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) 3.36 7.13 -80.23 1 6 2 57 598.913 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.82e-05 g/l DrugBank-withdrawn
ALOGPS_SOLUBILITY 4.64e-06 g/l DrugBank-withdrawn
PUBCHEM_PATENT_ID WO1999027914A1; WO2000045846A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.