UCSF

ZINC41664811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) -0.83 -0.15 -92.61 6 4 2 73 187.287 4
Mid Mid (pH 6-8) -0.83 -1.53 -49.86 5 4 1 69 186.279 4

Activity (Go SEA)

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