UCSF

ZINC20269244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) 1.91 4.17 -61.26 1 4 -1 65 216.216 3
Lo Low (pH 4.5-6) 1.91 3.66 -16.55 2 4 0 62 217.224 3
Lo Low (pH 4.5-6) 1.46 6.02 -61.5 1 4 0 63 217.224 3
Lo Low (pH 4.5-6) 1.46 6.02 -61.49 1 4 0 63 217.224 3

Activity (Go SEA)

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