UCSF

ZINC52648300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 29 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) 3.41 11.43 -37.65 1 5 1 51 383.475 2
Hi High (pH 8-9.5) 3.41 11.14 -12.67 0 5 0 49 382.467 2

Activity (Go SEA)

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