UCSF

ZINC12436532

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 28 No

Other Names:

MFCD02102846

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) 4.71 10.69 -12.38 0 4 0 38 367.452 3
Ref Reference (pH 7) 4.71 10.4 -14.39 0 4 0 38 367.452 3
Lo Low (pH 4.5-6) 4.71 12.74 -48.25 1 4 1 39 368.46 3
Lo Low (pH 4.5-6) 4.71 13.02 -46.75 1 4 1 39 368.46 3

Activity (Go SEA)

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