UCSF

ZINC22007622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

Other Names:

MFCD09263685

N/A

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) 4.38 9.33 -37.69 1 2 1 8 247.406 6
Mid Mid (pH 6-8) 4.38 6.95 -2.39 0 2 0 6 246.398 6

Activity (Go SEA)

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