UCSF

ZINC34537585

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 5.57 11.49 -36.91 2 3 1 34 374.504 5
Hi High (pH 8-9.5) 5.57 9.45 -7.08 1 3 0 33 373.496 5

Activity (Go SEA)

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