UCSF

ZINC25446697

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) 4.07 7.33 -26.13 2 8 0 110 460.581 10
Hi High (pH 8-9.5) 4.14 6.49 -105.52 0 8 -2 119 458.565 10
Hi High (pH 8-9.5) 4.07 7.4 -61.35 1 8 -1 112 459.573 10
Mid Mid (pH 6-8) 4.14 6.42 -50.96 1 8 -1 117 459.573 10

Activity (Go SEA)

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