UCSF

ZINC40417331

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 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) 2.05 5.43 -59.37 1 5 -1 78 261.301 5
Mid Mid (pH 6-8) 2.05 5.84 -53.79 2 5 0 79 262.309 5

Activity (Go SEA)

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