UCSF

ZINC37028535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 Yes

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) -0.50 3.76 -6.54 3 5 0 81 264.325 6
Mid Mid (pH 6-8) -0.50 3.83 -45.03 4 5 1 83 265.333 6

Activity (Go SEA)

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