UCSF

ZINC04970448

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 20 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) 3.31 -3.62 -10.84 1 5 0 68 333.196 4
Hi High (pH 8-9.5) 3.31 -3.06 -35.83 0 5 -1 70 332.188 4

Activity (Go SEA)

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