UCSF

ZINC43417033

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) 2.23 7.38 -12.56 1 4 0 60 283.375 6
Mid Mid (pH 6-8) 2.23 8.02 -33.41 2 4 1 61 284.383 6

Activity (Go SEA)

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