UCSF

ZINC41649466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.67 11.16 -12.85 0 5 0 56 419.452 4
Lo Low (pH 4.5-6) 4.67 14.03 -57.25 1 5 1 57 420.46 4

Activity (Go SEA)

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