UCSF

ZINC43434659

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 2.27 5.13 -95.39 4 3 2 41 232.412 7
Hi High (pH 8-9.5) 2.27 2.57 -32.59 3 3 1 40 231.404 7
Hi High (pH 8-9.5) 2.27 5.7 -37.31 3 3 1 44 231.404 7

Activity (Go SEA)

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