UCSF

ZINC21817073

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.20 8.98 -36.55 2 2 1 20 275.46 5
Mid Mid (pH 6-8) 3.20 10.42 -33.37 2 2 1 16 275.46 5
Lo Low (pH 4.5-6) 3.20 10.97 -119.58 3 2 2 21 276.468 5

Activity (Go SEA)

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