UCSF

ZINC13123730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 No

Other Names:

MFCD01648170

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) 1.36 3.16 -11.87 3 6 0 104 295.346 2
Lo Low (pH 4.5-6) 1.36 2.96 -39.24 4 6 1 106 296.354 2

Activity (Go SEA)

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