UCSF

ZINC37802858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.70 -1.97 -42.11 5 7 1 107 281.336 5
Hi High (pH 8-9.5) -0.70 -2.31 -13.33 4 7 0 106 280.328 5
Mid Mid (pH 6-8) -0.70 0.26 -101.46 6 7 2 109 282.344 5

Activity (Go SEA)

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