UCSF

ZINC19916425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 2.03 6.66 -36.33 2 3 1 29 248.394 6
Mid Mid (pH 6-8) 2.03 5.59 -41.35 2 3 1 33 248.394 6
Lo Low (pH 4.5-6) 2.03 7.94 -107.07 3 3 2 34 249.402 6
Lo Low (pH 4.5-6) 2.03 8.32 -188.31 4 3 3 35 250.41 6

Activity (Go SEA)

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