UCSF

ZINC00526354

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 17 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) 1.67 9.3 -39.05 1 3 1 31 234.319 4
Hi High (pH 8-9.5) 1.67 6.94 -6.25 0 3 0 30 233.311 4

Activity (Go SEA)

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