UCSF

ZINC36843392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 3.05 6.33 -43.13 2 3 1 29 275.416 6
Mid Mid (pH 6-8) 3.04 7.5 -35.22 2 3 1 26 275.416 6
Mid Mid (pH 6-8) 3.05 8.77 -120.01 3 3 2 30 276.424 6

Activity (Go SEA)

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