UCSF

ZINC47281168

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 26 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) 2.19 9.35 -62.35 1 6 1 89 369.47 7
Hi High (pH 8-9.5) 2.19 6.88 -15.21 0 6 0 88 368.462 7

Activity (Go SEA)

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