UCSF

ZINC19745217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 26 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) 1.51 5.65 -61.49 3 6 1 73 377.896 5
Hi High (pH 8-9.5) 1.51 3.81 -14.06 2 6 0 69 376.888 5

Activity (Go SEA)

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