UCSF

ZINC19912165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 28 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) 2.94 6.34 -10.3 1 6 0 64 397.397 8
Lo Low (pH 4.5-6) 2.94 9.05 -91.45 3 6 2 66 399.413 8

Activity (Go SEA)

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