UCSF

ZINC16677261

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 32 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) 1.77 1.61 -22.15 1 9 0 113 499.636 7
Lo Low (pH 4.5-6) 1.77 3.23 -54.38 2 9 1 114 500.644 7

Activity (Go SEA)

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