UCSF

ZINC05450542

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 22 No

Other Names:

MFCD00402684

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) 3.77 5.71 -8.93 2 5 0 74 378.613 2
Ref Reference (pH 7) 3.77 5.54 -16.4 2 5 0 74 378.613 2
Hi High (pH 8-9.5) 4.23 3.97 -41.53 1 5 -1 77 377.605 2
Mid Mid (pH 6-8) 4.23 3.66 -53.83 1 5 -1 77 377.605 2

Activity (Go SEA)

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