UCSF

ZINC41648205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 7.25 14.16 -8.61 0 4 0 43 467.609 6
Lo Low (pH 4.5-6) 7.25 16.99 -51.09 1 4 1 44 468.617 6

Activity (Go SEA)

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