UCSF

ZINC40124363

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.93 4.14 -54.84 1 7 -1 97 386.355 6
Lo Low (pH 4.5-6) 1.93 3.38 -17.79 2 7 0 94 387.363 6

Activity (Go SEA)

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