UCSF

ZINC41051227

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 3.54 7.08 -49.57 1 3 -1 52 206.265 4
Lo Low (pH 4.5-6) 3.54 7.23 -34.69 2 3 0 57 207.273 4
Lo Low (pH 4.5-6) 3.54 5.09 -5.48 2 3 0 49 207.273 4

Activity (Go SEA)

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