UCSF

ZINC00661166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Other Names:

MFCD03075748

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) 4.43 7.09 -11.06 3 5 0 81 415.305 3
Lo Low (pH 4.5-6) 4.43 7.32 -40.66 4 5 1 82 416.313 3
Lo Low (pH 4.5-6) 4.43 7.37 -45.09 4 5 1 82 416.313 3
Lo Low (pH 4.5-6) 4.43 7.6 -104.37 5 5 2 83 417.321 3

Activity (Go SEA)

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