UCSF

ZINC52807670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 22 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) 1.45 5.75 -51.66 3 5 1 70 320.438 3
Hi High (pH 8-9.5) 1.91 3 -45.74 2 5 0 74 319.43 3

Activity (Go SEA)

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