UCSF

ZINC40735365

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 20 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) 3.81 3.07 -6.08 3 3 0 52 312.196 5
Hi High (pH 8-9.5) 3.81 3.82 -37.73 2 3 -1 55 311.188 5
Hi High (pH 8-9.5) 3.81 5.21 -34.72 3 3 0 60 312.196 5
Mid Mid (pH 6-8) 3.81 4.46 -50.09 4 3 1 57 313.204 5

Activity (Go SEA)

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