UCSF

ZINC33752340

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 37 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) 2.78 9.25 -35.2 2 9 0 110 524.643 12
Hi High (pH 8-9.5) 2.60 8.17 -73.67 1 9 -1 116 523.635 12

Activity (Go SEA)

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