UCSF

ZINC37827794

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) -1.19 3.78 -53.26 0 7 -1 84 282.32 4
Mid Mid (pH 6-8) -1.19 5.92 -72.41 1 7 0 85 283.328 4
Lo Low (pH 4.5-6) -1.19 3.98 -49.07 2 7 1 82 284.336 4

Activity (Go SEA)

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