UCSF

ZINC41586689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 4.41 8.82 -7.91 0 4 0 43 349.43 2
Lo Low (pH 4.5-6) 4.41 11.41 -44.51 1 4 1 44 350.438 2

Activity (Go SEA)

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