UCSF

ZINC43389746

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.17 7.53 -37.1 2 2 1 16 271.787 5
Mid Mid (pH 6-8) 3.17 6.42 -50.69 2 2 1 20 271.787 5

Activity (Go SEA)

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