UCSF

ZINC40487615

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 23 Yes

Other Names:

MFCD18172140

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) 5.54 7.7 -6.55 2 3 0 41 325.795 5
Hi High (pH 8-9.5) 5.54 8.46 -37.37 1 3 -1 44 324.787 5

Activity (Go SEA)

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