UCSF

ZINC41066241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 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) 3.34 2.36 -6.72 1 4 0 59 341.658 5
Hi High (pH 8-9.5) 3.34 2.48 -37.62 0 4 -1 61 340.65 5

Activity (Go SEA)

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