UCSF

ZINC52504284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 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) 3.70 8.21 -102.07 3 2 2 21 230.44 7
Mid Mid (pH 6-8) 3.70 6.52 -32.78 2 2 1 20 229.432 7

Activity (Go SEA)

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