UCSF

ZINC31979051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.02 6.48 -63.17 1 5 -1 78 282.36 9
Lo Low (pH 4.5-6) 2.02 5.36 -14.03 2 5 0 76 283.368 9

Activity (Go SEA)

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