UCSF

ZINC37854473

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.84 1.46 -42.62 3 4 1 49 269.34 6
Hi High (pH 8-9.5) 0.84 0.09 -5.93 2 4 0 45 268.332 6
Mid Mid (pH 6-8) 0.84 1.99 -32.37 2 4 0 52 268.332 6
Mid Mid (pH 6-8) 0.84 3.72 -107.51 4 4 2 51 270.348 6

Activity (Go SEA)

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