UCSF

ZINC37048738

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) -0.28 -2.34 -114.89 2 8 -2 149 326.739 5
Mid Mid (pH 6-8) -0.28 -2.39 -54.51 3 8 -1 146 327.747 5

Activity (Go SEA)

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