UCSF

ZINC43442191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.39 3.43 -18.28 2 7 0 88 299.371 9
Mid Mid (pH 6-8) 0.39 4.64 -39.56 3 7 1 92 300.379 9

Activity (Go SEA)

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