UCSF

ZINC42436243

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 0.05 -0.55 -45.4 2 6 1 74 228.272 5
Hi High (pH 8-9.5) 0.05 -1.81 -8.93 1 6 0 69 227.264 5

Activity (Go SEA)

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