UCSF

ZINC19960778

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.42 9.1 -114.14 3 3 2 34 274.408 5
Mid Mid (pH 6-8) 3.42 6.74 -41.77 2 3 1 33 273.4 5
Mid Mid (pH 6-8) 3.42 7.88 -37.71 2 3 1 30 273.4 5

Activity (Go SEA)

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