UCSF

ZINC04522653

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 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) 3.20 8.29 -5.5 0 1 0 13 195.265 2
Lo Low (pH 4.5-6) 3.20 8.73 -24.66 1 1 1 14 196.273 2

Activity (Go SEA)

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