UCSF

ZINC37852187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.50 -0.42 -45.45 3 6 1 68 291.412 11
Hi High (pH 8-9.5) -0.50 -1.78 -7.47 2 6 0 63 290.404 11
Lo Low (pH 4.5-6) -0.50 0.48 -39.55 3 6 1 64 291.412 11

Activity (Go SEA)

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