UCSF

ZINC43400040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -1.20 0.43 -11.32 4 7 0 104 268.317 6
Mid Mid (pH 6-8) -1.20 0.86 -31.57 5 7 1 105 269.325 6

Activity (Go SEA)

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