UCSF

ZINC19923086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 No

Other Names:

MFCD03011267

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) 3.54 10.17 -71.27 1 6 0 74 473.367 8
Lo Low (pH 4.5-6) 3.54 9.36 -48.67 2 6 1 71 474.375 8

Activity (Go SEA)

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