UCSF

ZINC08743826

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 26 No

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) 0.57 2.2 -66.03 1 7 -1 103 353.354 6
Mid Mid (pH 6-8) 1.01 1.87 -17.68 2 7 0 100 354.362 5
Lo Low (pH 4.5-6) 1.01 2.17 -55.52 3 7 1 101 355.37 5
Lo Low (pH 4.5-6) -0.02 2.83 -47.54 2 7 1 98 355.37 6

Activity (Go SEA)

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