UCSF

ZINC28464593

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 18 No

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) 2.30 6.95 -46.61 0 3 -1 57 247.314 2
Lo Low (pH 4.5-6) 2.30 5.85 -11.79 1 3 0 54 248.322 2

Activity (Go SEA)

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