UCSF

ZINC13116663

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 No

Other Names:

MFCD06249481

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) 2.50 2.58 -16.54 2 8 0 104 325.328 3
Ref Reference (pH 7) 2.50 4.28 -16.19 2 8 0 104 325.328 3
Hi High (pH 8-9.5) 2.22 2.48 -53.39 1 8 -1 104 324.32 3
Hi High (pH 8-9.5) 3.41 0.91 -135.16 0 8 -2 110 323.312 3
Hi High (pH 8-9.5) 2.22 2.52 -56.19 1 8 -1 104 324.32 3
Mid Mid (pH 6-8) 3.41 0.13 -48.97 1 8 -1 107 324.32 3

Activity (Go SEA)

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