UCSF

ZINC33817365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 5.16 13.16 -17.72 1 9 0 108 529.688 11
Hi High (pH 8-9.5) 5.34 12.1 -44.75 0 9 -1 115 528.68 11

Activity (Go SEA)

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