UCSF

ZINC36838186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) -0.89 0.45 -45.58 2 7 -1 119 293.346 6
Mid Mid (pH 6-8) -0.43 -1.76 -102.54 1 7 -2 122 292.338 6

Activity (Go SEA)

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