UCSF

ZINC44625166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) -1.70 3.55 -66.77 3 5 0 88 216.281 5
Hi High (pH 8-9.5) -1.70 3.15 -47.15 2 5 -1 86 215.273 5

Activity (Go SEA)

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