UCSF

ZINC43395018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 4.38 9.92 -33.03 2 2 1 29 301.479 4
Mid Mid (pH 6-8) 4.38 8.8 -5.72 1 2 0 25 300.471 4

Activity (Go SEA)

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