UCSF

ZINC52241000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 26 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) 1.75 7.96 -13.12 0 6 0 63 356.422 5
Lo Low (pH 4.5-6) 1.75 10.17 -56.94 1 6 1 64 357.43 5

Activity (Go SEA)

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