UCSF

ZINC03882035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 18 Yes

CAS Number: 890-38-0

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) -1.86 -7.72 -23.67 3 8 0 113 252.23 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0640091A1; EP0788506A2; EP0935466A1; US5559101; US5721218; US5801159; WO1993011267A1; WO1993023413A1; WO1995012618A1; WO1997030713A1; WO1998017781A1; WO2000003038A2; WO2000020630A1 IBM Patent Data

Activity (Go SEA)

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