UCSF

ZINC32739822

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 25 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) 3.55 8.7 -51.44 3 4 1 55 356.877 7
Hi High (pH 8-9.5) 3.55 8.07 -9.87 2 4 0 50 355.869 7

Activity (Go SEA)

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