UCSF

ZINC23248999

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 25 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) 3.01 5.3 -37.49 3 5 1 57 342.463 5
Mid Mid (pH 6-8) 3.01 5.41 -37.2 3 5 1 57 342.463 5
Mid Mid (pH 6-8) 3.01 3.1 -10.37 2 5 0 56 341.455 5

Activity (Go SEA)

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