UCSF

ZINC40748399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 1.15 3.69 -35.16 2 4 1 32 268.425 5
Mid Mid (pH 6-8) 1.15 3.94 -102.11 3 4 2 34 269.433 5
Lo Low (pH 4.5-6) 1.15 6.22 -197.03 4 4 3 35 270.441 5
Lo Low (pH 4.5-6) 1.15 5.98 -90.93 3 4 2 34 269.433 5

Activity (Go SEA)

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