UCSF

ZINC19726918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 No

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) 1.40 4.99 -49 2 5 1 66 236.295 4
Lo Low (pH 4.5-6) 1.40 7.36 -136.45 3 5 2 67 237.303 4

Activity (Go SEA)

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