UCSF

ZINC34603636

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) -0.77 0.49 -57.72 2 6 -1 98 259.307 5
Lo Low (pH 4.5-6) -0.77 -1.49 -20.35 3 6 0 95 260.315 5

Activity (Go SEA)

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