UCSF

ZINC40189365

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) 6.62 13.68 -8.03 1 4 0 47 405.586 9
Lo Low (pH 4.5-6) 6.62 14.37 -30.49 2 4 1 48 406.594 9

Activity (Go SEA)

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