UCSF

ZINC29793758

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 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) 3.92 7.59 -27.38 2 6 0 88 445.953 7
Hi High (pH 8-9.5) 3.99 6.67 -54.14 1 6 -1 94 444.945 7

Activity (Go SEA)

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