UCSF

ZINC34678511

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 2.06 7.63 -40.03 2 5 1 54 336.843 5
Hi High (pH 8-9.5) 2.24 5.64 -39.24 1 5 0 60 335.835 5

Activity (Go SEA)

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