UCSF

ZINC57571928

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.88 10.29 -39.81 1 4 1 34 327.448 7
Hi High (pH 8-9.5) 2.88 7.87 -10.73 0 4 0 33 326.44 7

Activity (Go SEA)

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