UCSF

ZINC42370380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 3.88 9.35 -45.5 1 3 1 31 319.252 8
Mid Mid (pH 6-8) 3.88 8.13 -8.05 0 3 0 30 318.244 8

Activity (Go SEA)

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