UCSF

ZINC33934294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 28 Yes

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) 3.49 10.14 -53.73 0 6 -1 80 370.388 5
Lo Low (pH 4.5-6) 3.49 10.61 -53.35 1 6 0 81 371.396 5

Activity (Go SEA)

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