UCSF

ZINC43968646

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.43 6.91 -34.44 2 3 1 29 263.405 7
Mid Mid (pH 6-8) 2.43 6.09 -2.05 1 3 0 24 262.397 7
Mid Mid (pH 6-8) 2.43 8.31 -29.27 2 3 1 26 263.405 7

Activity (Go SEA)

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