UCSF

ZINC20445138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 20 Yes

Other Names:

MFCD02169875

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) 0.04 1.77 -53.12 1 8 -1 107 317.372 6
Hi High (pH 8-9.5) -0.14 0.78 -95.08 0 8 -2 114 316.364 6
Lo Low (pH 4.5-6) -0.14 3.1 -82.42 1 8 -1 115 317.372 6

Activity (Go SEA)

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