UCSF

ZINC09156315

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 23 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) 2.00 -0.94 -44.74 2 4 1 46 310.421 5
Lo Low (pH 4.5-6) 2.00 -0.83 -87.74 3 4 2 47 311.429 5

Activity (Go SEA)

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