UCSF

ZINC41690162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.25 3.96 -34.67 2 4 1 37 271.425 5
Mid Mid (pH 6-8) 1.25 1.58 -4.49 1 4 0 36 270.417 5

Activity (Go SEA)

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