UCSF

ZINC41677462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.18 6.84 -37 2 3 1 29 228.385 6
Hi High (pH 8-9.5) 2.18 4.46 -4.82 1 3 0 28 227.377 6
Lo Low (pH 4.5-6) 2.18 6.87 -85.46 3 3 2 31 229.393 6

Activity (Go SEA)

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