UCSF

ZINC42409317

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) 0.67 3.57 -82.18 3 3 2 24 187.331 5
Hi High (pH 8-9.5) 0.67 1.29 -37.66 2 3 1 23 186.323 5
Mid Mid (pH 6-8) 0.67 3.57 -99.52 3 3 2 24 187.331 5

Activity (Go SEA)

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