UCSF

ZINC19429930

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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
Hi High (pH 8-9.5) 1.04 6.36 -96.72 4 3 2 35 249.402 4
Hi High (pH 8-9.5) 1.04 4.45 -34.33 3 3 1 34 248.394 4
Hi High (pH 8-9.5) 1.04 2.73 -42.71 3 3 1 34 248.394 4
Mid Mid (pH 6-8) 1.04 4.99 -106.69 4 3 2 35 249.402 4
Lo Low (pH 4.5-6) 1.04 4.61 -119.73 4 3 2 35 249.402 4

Activity (Go SEA)

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