UCSF

ZINC39911803

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 5.72 10.62 -15.53 2 7 0 88 477.605 9
Hi High (pH 8-9.5) 5.49 10.94 -51.48 0 7 -1 87 476.597 9
Hi High (pH 8-9.5) 5.49 11.2 -58.61 0 7 -1 87 476.597 9
Hi High (pH 8-9.5) 5.72 11.6 -40.44 1 7 -1 91 476.597 9

Activity (Go SEA)

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