UCSF

ZINC39757699

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 23 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) 4.03 4.52 -15.99 1 6 0 77 329.743 4
Hi High (pH 8-9.5) 3.55 1.96 -57.53 0 6 -1 84 328.735 4

Activity (Go SEA)

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