UCSF

ZINC19440546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) 3.47 7.55 -54.73 1 4 -1 69 374.198 8
Lo Low (pH 4.5-6) 3.47 6.43 -16.83 2 4 0 66 375.206 8

Activity (Go SEA)

Rings

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