UCSF

ZINC42914781

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.66 0.15 -49.45 4 3 1 51 227.303 5
Mid Mid (pH 6-8) 0.66 2.38 -117.65 5 3 2 52 228.311 5
Mid Mid (pH 6-8) 0.66 2.16 -37.22 4 3 1 51 227.303 5

Activity (Go SEA)

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