UCSF

ZINC04812822

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 24 No

Other Names:

MFCD02231909

MFCD02950547

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) 1.66 1.33 -11.93 3 7 0 106 326.356 4
Ref Reference (pH 7) 1.66 2.22 -10.97 3 7 0 106 326.356 4
Lo Low (pH 4.5-6) 1.66 2.27 -58.51 4 7 1 108 327.364 4

Activity (Go SEA)

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