UCSF

ZINC39376009

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 21 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) 2.27 9.48 -51.94 1 4 1 34 293.362 5
Mid Mid (pH 6-8) 2.27 7.27 -11.51 0 4 0 33 292.354 5

Activity (Go SEA)

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