UCSF

ZINC54570578

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 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) 3.65 6.49 -42.14 2 5 1 52 328.388 7
Hi High (pH 8-9.5) 3.65 4.3 -7.12 1 5 0 51 327.38 7

Activity (Go SEA)

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