UCSF

ZINC41542199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 33 No

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) 3.89 11.62 -62.04 1 6 0 74 452.526 9
Lo Low (pH 4.5-6) 3.89 10.86 -45.01 2 6 1 71 453.534 9

Activity (Go SEA)

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