UCSF

ZINC34560040

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) -0.65 8.76 -105.32 0 7 -2 110 293.275 8
Lo Low (pH 4.5-6) -0.65 6.79 -47.79 1 7 -1 107 294.283 8

Activity (Go SEA)

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