UCSF

ZINC41363272

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 11 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) 1.59 2.5 -2.05 0 2 0 12 157.257 1
Mid Mid (pH 6-8) 1.59 4.91 -30.64 1 2 1 14 158.265 1

Activity (Go SEA)

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