UCSF

ZINC35765633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 2.09 5.25 -26.5 3 3 1 34 268.469 5
Hi High (pH 8-9.5) 2.09 5.44 -32.8 3 3 1 34 268.469 5
Mid Mid (pH 6-8) 2.09 7.44 -91.79 4 3 2 35 269.477 5
Mid Mid (pH 6-8) 2.09 5.33 -111.2 4 3 2 35 269.477 5

Activity (Go SEA)

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