UCSF

ZINC39367376

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 20 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) 4.20 10.5 -39.1 1 2 1 14 288.798 4
Mid Mid (pH 6-8) 4.20 8.04 -3.55 0 2 0 12 287.79 4

Activity (Go SEA)

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