UCSF

ZINC19881621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 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) -0.14 1.76 -8.1 0 5 0 50 226.276 3
Ref Reference (pH 7) -0.14 1.5 -8.8 0 5 0 50 226.276 3
Lo Low (pH 4.5-6) -0.14 3.75 -45.77 1 5 1 51 227.284 3

Activity (Go SEA)

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