UCSF

ZINC31934859

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.42 6.98 -51.59 3 4 1 62 290.412 3
Hi High (pH 8-9.5) 2.42 5.61 -11.05 2 4 0 58 289.404 3
Hi High (pH 8-9.5) 2.88 5.96 -41.97 2 4 0 65 289.404 3

Activity (Go SEA)

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