UCSF

ZINC17299647

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 22 No

Other Names:

MFCD01242015

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) 3.50 8.68 -43.51 2 8 -1 121 320.716 6
Mid Mid (pH 6-8) 2.84 9.2 -14.64 3 8 0 122 321.724 5
Mid Mid (pH 6-8) 3.38 8.8 -40.73 2 8 -1 124 320.716 5

Activity (Go SEA)

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