UCSF

ZINC39294889

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 1.22 15.62 -153.16 2 7 1 74 457.57 7
Hi High (pH 8-9.5) 1.22 11.11 -67.45 0 7 -1 72 455.554 7
Hi High (pH 8-9.5) 1.22 13.41 -99.23 1 7 0 73 456.562 7
Mid Mid (pH 6-8) -1.52 13.7 -160.17 3 7 2 77 458.578 6
Mid Mid (pH 6-8) 1.22 13.34 -85.6 1 7 0 73 456.562 7

Activity (Go SEA)

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