UCSF

ZINC20235123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 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) 2.09 4.13 -57.92 2 9 -1 129 445.455 6
Lo Low (pH 4.5-6) 1.63 5.91 -21.23 3 9 0 126 446.463 6
Lo Low (pH 4.5-6) 2.09 4.13 -58.26 2 9 -1 129 445.455 6

Activity (Go SEA)

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