UCSF

ZINC52304171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 0.71 4.66 -51.6 3 4 1 55 232.307 5
Hi High (pH 8-9.5) 0.71 4.27 -9.37 2 4 0 53 231.299 5
Lo Low (pH 4.5-6) 0.71 4.88 -103.51 4 4 2 56 233.315 5

Activity (Go SEA)

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