UCSF

ZINC55276776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.49 4.9 -15.38 1 6 0 70 359.536 6
Hi High (pH 8-9.5) 2.49 4.77 -46.99 0 6 -1 72 358.528 6

Activity (Go SEA)

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