UCSF

ZINC39874806

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 24 Yes

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) 5.29 10.71 -15.67 1 4 0 51 360.866 5
Hi High (pH 8-9.5) 5.47 8.71 -45.88 0 4 -1 58 359.858 5

Activity (Go SEA)

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