UCSF

ZINC20128855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.53 6.03 -35.73 2 3 1 29 234.367 6
Mid Mid (pH 6-8) 1.53 7.45 -104.69 3 3 2 34 235.375 6
Mid Mid (pH 6-8) 1.53 5.17 -39.75 2 3 1 33 234.367 6

Activity (Go SEA)

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