UCSF

ZINC39751067

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 5.38 12.84 -17.59 1 7 0 82 481.647 9
Hi High (pH 8-9.5) 5.57 11.34 -51.21 0 7 -1 88 480.639 9

Activity (Go SEA)

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