UCSF

ZINC41541105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 1.80 5.34 -55.23 0 5 -1 74 300.265 3
Lo Low (pH 4.5-6) 1.80 4.59 -13.31 1 5 0 71 301.273 3

Activity (Go SEA)

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