UCSF

ZINC36864708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.77 3.33 -9.12 2 5 0 59 233.319 3
Mid Mid (pH 6-8) 0.77 3.45 -30.53 3 5 1 60 234.327 3

Activity (Go SEA)

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