UCSF

ZINC20177140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 Yes

Other Names:

MFCD08757062

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) 2.41 3.13 -5.55 1 4 0 34 298.814 7
Mid Mid (pH 6-8) 2.41 4.53 -50.5 2 4 1 38 299.822 7
Lo Low (pH 4.5-6) 2.41 5.45 -40.77 2 4 1 35 299.822 7

Activity (Go SEA)

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