UCSF

ZINC53660825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.38 10.76 -173.71 4 3 3 25 284.512 8
Mid Mid (pH 6-8) 2.38 8.52 -79.75 3 3 2 24 283.504 8
Mid Mid (pH 6-8) 2.38 8.31 -97.72 3 3 2 24 283.504 8

Activity (Go SEA)

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