UCSF

ZINC36301744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 17 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) 0.88 3.02 -45.14 3 4 1 56 231.323 4
Lo Low (pH 4.5-6) 0.88 5.27 -129.53 4 4 2 57 232.331 4
Lo Low (pH 4.5-6) 0.88 3.94 -45.54 3 4 1 52 231.323 4

Activity (Go SEA)

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