UCSF

ZINC39308434

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 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) 2.64 8.59 -12.71 0 5 0 51 354.479 3
Lo Low (pH 4.5-6) 2.64 9.05 -46.44 1 5 1 52 355.487 3

Activity (Go SEA)

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