UCSF

ZINC44722343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 0.79 1.15 -37.53 3 3 1 40 199.318 4
Mid Mid (pH 6-8) 0.79 2.21 -31.71 3 3 1 37 199.318 4
Mid Mid (pH 6-8) 0.79 3.48 -105.38 4 3 2 41 200.326 4

Activity (Go SEA)

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