UCSF

ZINC25445567

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) 3.78 7.17 -22.96 2 8 0 110 460.581 9
Hi High (pH 8-9.5) 3.78 7.24 -47.01 1 8 -1 112 459.573 9
Hi High (pH 8-9.5) 3.84 6.27 -53.29 1 8 -1 117 459.573 9
Hi High (pH 8-9.5) 3.84 6.34 -99.38 0 8 -2 119 458.565 9

Activity (Go SEA)

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