UCSF

ZINC35765714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 1.62 5.3 -98.57 4 3 2 41 228.38 7
Hi High (pH 8-9.5) 1.62 5.76 -35.78 3 3 1 44 227.372 7
Hi High (pH 8-9.5) 1.62 4 -31.88 3 3 1 37 227.372 7

Activity (Go SEA)

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