UCSF

ZINC42436521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) -0.20 3.05 -41.97 2 3 1 39 181.259 5
Hi High (pH 8-9.5) -0.20 1.95 -4.72 1 3 0 34 180.251 5
Lo Low (pH 4.5-6) -0.20 3.54 -99.95 3 3 2 40 182.267 5

Activity (Go SEA)

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