UCSF

ZINC39912561

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.65 9.49 -18.41 2 8 0 97 499.567 7
Hi High (pH 8-9.5) 4.42 9.18 -60.79 0 8 -1 96 498.559 7
Hi High (pH 8-9.5) 4.42 9.17 -51.77 0 8 -1 96 498.559 7
Hi High (pH 8-9.5) 4.65 10.49 -45.97 1 8 -1 100 498.559 7

Activity (Go SEA)

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