UCSF

ZINC37911898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 14 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) 1.95 6.66 -32.63 1 2 1 17 231.772 3
Mid Mid (pH 6-8) 1.95 4.41 -4.46 0 2 0 16 230.764 3

Activity (Go SEA)

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