UCSF

ZINC52943279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 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) 1.18 4.34 -50.16 2 4 1 46 235.307 2
Mid Mid (pH 6-8) 1.18 3.05 -11.19 1 4 0 42 234.299 2

Activity (Go SEA)

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