UCSF

ZINC51762810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 17 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) -0.55 3.59 -43.89 1 6 1 54 244.315 5
Hi High (pH 8-9.5) -0.55 1.2 -12.59 0 6 0 53 243.307 5
Lo Low (pH 4.5-6) -0.55 5.72 -100.04 2 6 2 55 245.323 5

Activity (Go SEA)

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