UCSF

ZINC43976852

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.81 8.54 -105.47 3 2 2 21 242.451 6
Mid Mid (pH 6-8) 3.81 7.47 -34.74 2 2 1 20 241.443 6
Mid Mid (pH 6-8) 3.81 7.53 -30 2 2 1 16 241.443 6

Activity (Go SEA)

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