UCSF

ZINC19994773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.61 5.4 -60.07 1 6 -1 87 346.366 4
Lo Low (pH 4.5-6) 2.15 8.24 -13.46 2 6 0 84 347.374 4

Activity (Go SEA)

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