UCSF

ZINC32731657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 26 Yes

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) 2.56 9.17 -14.04 1 5 0 60 348.45 6
Lo Low (pH 4.5-6) 2.56 9.62 -49.95 2 5 1 61 349.458 6

Activity (Go SEA)

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