UCSF

ZINC42451060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.44 2.97 -48 3 3 1 55 196.318 4
Mid Mid (pH 6-8) 0.44 4.84 -132.99 4 3 2 56 197.326 4

Activity (Go SEA)

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