UCSF

ZINC44511088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 0.84 2.54 -53.49 3 5 1 72 299.416 7
Hi High (pH 8-9.5) 0.84 1.08 -10.15 2 5 0 67 298.408 7

Activity (Go SEA)

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