UCSF

ZINC33764525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 5.96 13.81 -47.45 2 5 1 50 493.722 7
Hi High (pH 8-9.5) 5.96 11.67 -14.34 1 5 0 48 492.714 7

Activity (Go SEA)

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