UCSF

ZINC42906599

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.14 4.28 -123.63 6 4 2 75 277.412 5
Hi High (pH 8-9.5) 1.14 4.55 -34.05 5 4 1 74 276.404 5
Hi High (pH 8-9.5) 1.14 2.42 -48.82 5 4 1 74 276.404 5

Activity (Go SEA)

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