UCSF

ZINC44528161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 19 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) 1.00 1.22 -46.68 4 5 1 77 265.333 3
Hi High (pH 8-9.5) 1.00 2.03 -72.41 3 5 0 80 264.325 3

Activity (Go SEA)

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