UCSF

ZINC61654717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 17 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) 1.66 6.93 -80.78 3 3 2 24 241.423 7
Mid Mid (pH 6-8) 1.66 6.79 -92.67 3 3 2 24 241.423 7
Mid Mid (pH 6-8) 1.66 8.73 -180.61 4 3 3 25 242.431 7
Mid Mid (pH 6-8) 1.66 4.6 -35.3 2 3 1 23 240.415 7

Activity (Go SEA)

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