UCSF

ZINC49546267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 17 No

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) 0.50 3.45 -11.02 2 5 0 86 227.223 1
Hi High (pH 8-9.5) 0.96 1.73 -46.36 1 5 -1 89 226.215 1

Activity (Go SEA)

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