UCSF

ZINC39911804

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 5.51 10.08 -15.1 2 7 0 88 463.578 9
Hi High (pH 8-9.5) 5.28 10.6 -58.35 0 7 -1 87 462.57 9
Hi High (pH 8-9.5) 5.28 10.41 -51.49 0 7 -1 87 462.57 9
Hi High (pH 8-9.5) 5.51 11.01 -43.52 1 7 -1 91 462.57 9

Activity (Go SEA)

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