UCSF

ZINC60912561

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2011 21 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) 3.24 8.78 -41.68 1 4 1 38 307.801 2
Hi High (pH 8-9.5) 3.24 6.57 -5.84 0 4 0 37 306.793 2

Activity (Go SEA)

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