UCSF

ZINC39366490

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 14 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) 0.82 2.7 -14.71 3 3 0 59 188.23 2
Mid Mid (pH 6-8) 0.82 3.02 -49.37 4 3 1 61 189.238 2

Activity (Go SEA)

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