UCSF

ZINC37816798

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) -0.46 4 -8.02 2 4 0 50 273.38 4
Mid Mid (pH 6-8) -0.46 4.32 -43.33 3 4 1 51 274.388 4
Mid Mid (pH 6-8) -0.46 6.2 -46.11 3 4 1 51 274.388 4
Mid Mid (pH 6-8) -0.46 6.53 -105.62 4 4 2 52 275.396 4

Activity (Go SEA)

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