UCSF

ZINC54112460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) -0.55 0.17 -36.53 4 4 1 60 188.295 7
Hi High (pH 8-9.5) -0.55 -2.11 -7.61 3 4 0 58 187.287 7
Mid Mid (pH 6-8) -0.55 -0.91 -44.47 4 4 1 63 188.295 7
Mid Mid (pH 6-8) -0.55 1.52 -113.99 5 4 2 64 189.303 7

Activity (Go SEA)

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