UCSF

ZINC35016656

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

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) 3.45 8.75 -11 2 4 0 50 310.444 6
Hi High (pH 8-9.5) 2.70 7.68 -34.74 1 4 -1 57 309.436 5

Activity (Go SEA)

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