UCSF

ZINC25446733

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 4.09 7.46 -22.99 2 8 0 110 460.581 10
Hi High (pH 8-9.5) 4.09 7.54 -46.89 1 8 -1 112 459.573 10
Hi High (pH 8-9.5) 4.16 6.63 -98.47 0 8 -2 119 458.565 10
Mid Mid (pH 6-8) 4.16 6.56 -52.61 1 8 -1 117 459.573 10

Activity (Go SEA)

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