UCSF

ZINC13124102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 4.75 7.55 -11.59 1 5 0 58 353.447 4
Mid Mid (pH 6-8) 4.26 7.37 -50.47 0 5 -1 57 352.439 5
Lo Low (pH 4.5-6) 4.26 8.2 -14.24 1 5 0 54 353.447 5

Activity (Go SEA)

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