UCSF

ZINC43984279

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.66 6.95 -37.54 2 2 1 20 301.376 6
Mid Mid (pH 6-8) 3.66 5.81 -3.82 1 2 0 15 300.368 6

Activity (Go SEA)

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