UCSF

ZINC13115561

Substance Information

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

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) 0.13 3.26 -62.05 0 7 -1 107 345.422 6
Ref Reference (pH 7) 0.13 3.55 -61.66 0 7 -1 107 345.422 6
Lo Low (pH 4.5-6) 0.13 4.69 -70.16 1 7 0 109 346.43 6

Activity (Go SEA)

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