UCSF

ZINC41667786

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

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) 6.62 11.27 -10.73 0 5 0 52 495.497 7
Lo Low (pH 4.5-6) 6.62 14.1 -52.54 1 5 1 53 496.505 7

Activity (Go SEA)

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