UCSF

ZINC37808637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Other Names:

MFCD13246906

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) 1.85 6.55 -40.63 3 3 1 48 249.378 5
Hi High (pH 8-9.5) 1.85 6.23 -6.79 2 3 0 46 248.37 5

Activity (Go SEA)

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