UCSF

ZINC21013821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 3.78 10.2 -98.59 3 2 2 21 300.849 6
Hi High (pH 8-9.5) 3.78 6.58 -3.24 1 2 0 15 298.833 6
Hi High (pH 8-9.5) 3.78 8.78 -31.56 2 2 1 16 299.841 6
Mid Mid (pH 6-8) 3.78 8 -35.09 2 2 1 20 299.841 6

Activity (Go SEA)

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