UCSF

ZINC43478360

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 5.27 8.15 -50.57 3 2 1 37 325.259 5
Hi High (pH 8-9.5) 5.27 9.05 -59.6 2 2 0 40 324.251 5
Hi High (pH 8-9.5) 5.27 7.04 -5.48 2 2 0 32 324.251 5

Activity (Go SEA)

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