UCSF

ZINC20445221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 22 Yes

Other Names:

MFCD05669912

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) 1.78 2.42 -50.61 3 5 1 59 329.848 8
Hi High (pH 8-9.5) 1.78 0.97 -7.42 2 5 0 54 328.84 8
Lo Low (pH 4.5-6) 1.78 3.29 -42.47 3 5 1 55 329.848 8

Activity (Go SEA)

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