UCSF

ZINC11912463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 35 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) 3.27 1.85 -63.57 1 8 1 84 478.569 10
Lo Low (pH 4.5-6) 3.27 1.97 -98.9 2 8 2 85 479.577 10

Activity (Go SEA)

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