UCSF

ZINC37229445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.87 6.19 -137.07 3 4 2 55 310.463 5
Hi High (pH 8-9.5) 0.87 2.93 -12.19 1 4 0 49 308.447 5
Mid Mid (pH 6-8) 0.87 5.39 -49.39 2 4 1 51 309.455 5
Mid Mid (pH 6-8) 0.87 3.74 -62.61 2 4 1 54 309.455 5

Activity (Go SEA)

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