UCSF

ZINC43396792

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) 2.02 5.19 -12.53 2 4 0 51 279.409 3
Mid Mid (pH 6-8) 2.02 5.61 -39.54 3 4 1 53 280.417 3

Activity (Go SEA)

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