UCSF

ZINC36218404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.46 9.94 -10.55 1 3 0 42 342.87 6
Lo Low (pH 4.5-6) 4.46 10.29 -38.78 2 3 1 43 343.878 6

Activity (Go SEA)

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