UCSF

ZINC34544412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 1.46 4.44 -45.3 3 3 1 50 227.287 2
Hi High (pH 8-9.5) 1.46 3.99 -8.75 2 3 0 48 226.279 2
Lo Low (pH 4.5-6) 1.46 4.9 -92.81 4 3 2 51 228.295 2

Activity (Go SEA)

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