UCSF

ZINC36173230

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 5.06 11.42 -47.61 0 2 -1 40 259.369 6
Lo Low (pH 4.5-6) 5.06 9.38 -3.97 1 2 0 37 260.377 6

Activity (Go SEA)

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