UCSF

ZINC43410596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.61 8.12 -26.5 4 5 1 76 291.419 6
Mid Mid (pH 6-8) 2.61 7.69 -6.4 3 5 0 75 290.411 6

Activity (Go SEA)

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