UCSF

ZINC06706482

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 16 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) 3.41 -2.44 -8.65 1 3 0 46 241.356 5
Hi High (pH 8-9.5) 3.41 -1.91 -39.65 0 3 -1 48 240.348 5

Activity (Go SEA)

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