UCSF

ZINC08424745

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 46 No

Other Names:

MFCD01077610

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) 8.73 -0.28 -20.61 2 10 0 149 604.626 8
Mid Mid (pH 6-8) 8.73 -0.09 -53.42 3 10 1 150 605.634 8
Mid Mid (pH 6-8) 8.73 0.1 -120.31 4 10 2 151 606.642 8

Activity (Go SEA)

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