UCSF

ZINC36229429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -0.65 1.5 -41.8 2 5 1 49 230.332 6
Hi High (pH 8-9.5) -0.65 0.14 -8.77 1 5 0 45 229.324 6
Mid Mid (pH 6-8) -0.65 2.5 -44.43 2 5 1 46 230.332 6
Mid Mid (pH 6-8) -0.65 3.85 -96.7 3 5 2 51 231.34 6

Activity (Go SEA)

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