UCSF

ZINC16596788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 25 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) 3.60 8.85 -10.74 1 5 0 50 354.841 4
Lo Low (pH 4.5-6) 3.60 9.64 -27.35 2 5 0 51 355.849 4

Activity (Go SEA)

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