UCSF

ZINC26395774

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 42 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) 5.65 13.59 -56.11 0 10 -1 109 564.67 12
Mid Mid (pH 6-8) 5.65 15.89 -68.94 1 10 0 111 565.678 12
Lo Low (pH 4.5-6) 5.65 16.42 -87.72 3 10 2 114 567.694 12
Lo Low (pH 4.5-6) 5.65 16.29 -92.42 2 10 1 112 566.686 12

Activity (Go SEA)

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