UCSF

ZINC43555339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 17 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) 4.22 8.88 -36.76 1 2 1 17 275.869 8
Mid Mid (pH 6-8) 4.22 6.61 -4.12 0 2 0 16 274.861 8

Activity (Go SEA)

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