UCSF

ZINC41649386

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 4.24 8.37 -9.97 0 5 0 52 391.467 6
Lo Low (pH 4.5-6) 4.24 11.24 -48.22 1 5 1 53 392.475 6

Activity (Go SEA)

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