UCSF

ZINC31973060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 3.57 9.34 -50.61 0 5 -1 67 329.763 5
Lo Low (pH 4.5-6) 3.57 9.76 -52.49 1 5 0 68 330.771 5

Activity (Go SEA)

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