UCSF

ZINC37854729

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) -0.87 -2.33 -46.05 3 6 1 62 288.412 8
Hi High (pH 8-9.5) -0.87 -3.67 -5.64 2 6 0 57 287.404 8
Mid Mid (pH 6-8) -0.87 -0.07 -110.83 4 6 2 63 289.42 8
Lo Low (pH 4.5-6) -0.87 2.21 -189.8 5 6 3 64 290.428 8

Activity (Go SEA)

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