UCSF

ZINC31975547

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.54 5.97 -52.8 3 5 1 63 316.768 2
Hi High (pH 8-9.5) 2.54 5.58 -10.66 2 5 0 62 315.76 2
Lo Low (pH 4.5-6) 2.54 6.39 -106.47 4 5 2 65 317.776 2

Activity (Go SEA)

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