UCSF

ZINC41666117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) -0.09 5.24 -52.34 1 5 -1 86 310.395 4
Lo Low (pH 4.5-6) -0.09 3.46 -14.46 2 5 0 83 311.403 4

Activity (Go SEA)

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