UCSF

ZINC38002133

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 4.43 9.82 -31 2 2 1 16 346.358 6
Mid Mid (pH 6-8) 4.43 9.56 -117.02 3 2 2 21 347.366 6
Mid Mid (pH 6-8) 4.43 8.15 -37.83 2 2 1 20 346.358 6

Activity (Go SEA)

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