UCSF

ZINC34683476

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 5.39 11.48 -40.5 2 4 1 45 427.977 5
Hi High (pH 8-9.5) 5.39 12.23 -28.48 1 4 0 48 426.969 5

Activity (Go SEA)

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