UCSF

ZINC39750816

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 31 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) 5.08 12.47 -16.51 1 7 0 86 449.561 5
Hi High (pH 8-9.5) 5.27 11.07 -48.5 0 7 -1 92 448.553 5

Activity (Go SEA)

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