UCSF

ZINC35765624

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) 2.29 5.16 -28.3 3 3 1 34 268.469 6
Hi High (pH 8-9.5) 2.29 4.73 -35.06 3 3 1 34 268.469 6
Mid Mid (pH 6-8) 2.29 7.66 -94.37 4 3 2 35 269.477 6
Mid Mid (pH 6-8) 2.29 5.46 -110.96 4 3 2 35 269.477 6

Activity (Go SEA)

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