UCSF

ZINC21698495

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 No

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) 2.39 10.37 -48.19 3 9 1 113 424.481 7
Hi High (pH 8-9.5) 2.39 8.2 -14.2 2 9 0 112 423.473 7

Activity (Go SEA)

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