UCSF

ZINC37840864

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.39 1.65 -12.8 1 6 0 73 313.423 5
Hi High (pH 8-9.5) 1.85 -0.4 -45.63 0 6 -1 77 312.415 5
Mid Mid (pH 6-8) 1.39 3.89 -54.67 2 6 1 75 314.431 5

Activity (Go SEA)

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