UCSF

ZINC41711704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 2.35 5.34 -43.16 4 5 1 71 285.371 5
Mid Mid (pH 6-8) 2.35 5.79 -80.56 5 5 2 72 286.379 5

Activity (Go SEA)

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