UCSF

ZINC45653821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.04 7.79 -37.28 2 2 1 20 261.433 6
Hi High (pH 8-9.5) 3.04 9.34 -31.05 2 2 1 16 261.433 6
Hi High (pH 8-9.5) 3.04 6.95 -1.74 1 2 0 15 260.425 6

Activity (Go SEA)

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