UCSF

ZINC04473384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 30 No

Other Names:

MFCD01416725

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) 2.53 4.23 -13.96 3 8 0 115 404.426 5
Ref Reference (pH 7) 2.53 3.61 -12.88 3 8 0 115 404.426 5
Lo Low (pH 4.5-6) 2.53 4.56 -65.18 4 8 1 117 405.434 5

Activity (Go SEA)

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