UCSF

ZINC20031182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 23 Yes

Other Names:

MFCD01928492

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) 0.23 2.37 -14.27 1 6 0 60 318.421 4
Mid Mid (pH 6-8) 0.23 4.77 -33.84 2 6 1 61 319.429 4

Activity (Go SEA)

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