UCSF

ZINC19878484

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 3.25 10.15 -42.46 2 1 1 17 270.421 3
Hi High (pH 8-9.5) 3.25 9.24 -4.88 1 1 0 12 269.413 3

Activity (Go SEA)

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