UCSF

ZINC42205354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 0.31 1.2 -39.18 3 4 1 46 228.238 7
Hi High (pH 8-9.5) 0.31 -1.28 -6.27 2 4 0 44 227.23 7
Hi High (pH 8-9.5) 0.31 0.09 -43.52 3 4 1 49 228.238 7
Lo Low (pH 4.5-6) 0.31 2.55 -115.66 4 4 2 50 229.246 7

Activity (Go SEA)

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