UCSF

ZINC40669837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 17 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) 1.62 6.17 -37.94 2 4 1 43 243.371 6
Mid Mid (pH 6-8) 1.62 7.23 -114.92 3 4 2 47 244.379 6
Mid Mid (pH 6-8) 1.62 5.74 -42.39 2 4 1 46 243.371 6

Activity (Go SEA)

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