UCSF

ZINC46518126

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 23 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) 3.84 10.62 -51.35 2 4 1 57 316.469 9
Hi High (pH 8-9.5) 3.84 8.37 -11.69 1 4 0 56 315.461 9

Activity (Go SEA)

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