UCSF

ZINC40186896

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.99 11.5 -11.32 1 5 0 56 419.912 6
Lo Low (pH 4.5-6) 4.99 11.98 -32.42 2 5 1 57 420.92 6

Activity (Go SEA)

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