UCSF

ZINC36997886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 4.94 9.43 -3.06 1 1 0 12 294.225 5
Lo Low (pH 4.5-6) 4.94 10.62 -42.77 2 1 1 17 295.233 5

Activity (Go SEA)

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