UCSF

ZINC19589965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 23 No

Other Names:

MFCD03286443

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) 0.92 5.44 -44.57 1 6 1 54 338.815 3
Mid Mid (pH 6-8) 0.92 3.08 -12.34 0 6 0 53 337.807 3
Mid Mid (pH 6-8) 0.92 3.05 -12.41 0 6 0 53 337.807 3

Activity (Go SEA)

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