UCSF

ZINC51762797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 18 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) -0.18 4.53 -43.61 1 6 1 54 258.342 6
Hi High (pH 8-9.5) -0.18 2.15 -12.41 0 6 0 53 257.334 6
Lo Low (pH 4.5-6) -0.18 6.66 -99.96 2 6 2 55 259.35 6

Activity (Go SEA)

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