UCSF

ZINC40505575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 14 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) 0.95 3.05 -40.69 2 3 1 42 226.35 4
Hi High (pH 8-9.5) 0.95 1.69 -7.6 1 3 0 38 225.342 4

Activity (Go SEA)

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