UCSF

ZINC16896794

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 31 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) 5.58 7.52 -20.66 3 6 0 95 451.573 6
Hi High (pH 8-9.5) 6.04 6.28 -52.43 2 6 -1 98 450.565 6

Activity (Go SEA)

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