UCSF

ZINC52608255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 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) 1.12 6.34 -43.52 2 6 1 57 331.44 6
Hi High (pH 8-9.5) 1.12 4.12 -15.69 1 6 0 56 330.432 6
Lo Low (pH 4.5-6) 1.12 8.48 -104.08 3 6 2 58 332.448 6

Activity (Go SEA)

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