UCSF

ZINC49751215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 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) 2.15 8.96 -57.54 2 6 1 84 350.826 6
Hi High (pH 8-9.5) 2.15 6.72 -16.43 1 6 0 82 349.818 6

Activity (Go SEA)

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