UCSF

ZINC03831167

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 Yes

CAS Number: 94513-92-5

Other Names:

BRD-A97454584-001-02-0

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) 1.15 0.25 -43.65 5 5 1 87 310.414 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4302453; US4350812 IBM Patent Data

Activity (Go SEA)

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