UCSF

ZINC31965801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.28 7.73 -60.56 4 5 1 74 323.42 5
Lo Low (pH 4.5-6) 2.28 8.13 -88.18 5 5 2 75 324.428 5

Activity (Go SEA)

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