UCSF

ZINC43248452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.76 8.62 -28.77 3 2 1 30 307.508 6
Mid Mid (pH 6-8) 2.76 8.2 -122.23 4 2 2 32 308.516 6
Mid Mid (pH 6-8) 2.76 6.52 -41.77 3 2 1 31 307.508 6

Activity (Go SEA)

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