UCSF

ZINC34849484

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 2.91 8.51 -19.58 2 7 0 91 428.558 10
Hi High (pH 8-9.5) 2.72 7.34 -52.35 1 7 -1 98 427.55 10

Activity (Go SEA)

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