UCSF

ZINC42468190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.42 3.21 -38.18 2 3 1 48 183.275 3
Mid Mid (pH 6-8) 0.42 1.36 -6.79 1 3 0 47 182.267 3

Activity (Go SEA)

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