UCSF

ZINC37850996

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.39 -0.38 -46.27 3 6 1 68 303.423 10
Hi High (pH 8-9.5) -0.39 -1.73 -8.66 2 6 0 63 302.415 10
Lo Low (pH 4.5-6) -0.39 1.89 -110.54 4 6 2 69 304.431 10

Activity (Go SEA)

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