UCSF

ZINC37843375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 0.61 -0.77 -20.9 3 6 0 95 320.798 8
Mid Mid (pH 6-8) 0.61 -0.61 -42.96 2 6 -1 98 319.79 8

Activity (Go SEA)

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