UCSF

ZINC49344785

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) -1.48 4.42 -37.79 1 6 0 83 211.221 5
Hi High (pH 8-9.5) -1.48 2.12 -46.69 0 6 -1 82 210.213 5

Activity (Go SEA)

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