UCSF

ZINC52214120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 19 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) 2.87 7.32 -43.44 2 3 1 34 326.258 5
Hi High (pH 8-9.5) 2.87 5.06 -7.4 1 3 0 32 325.25 5

Activity (Go SEA)

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