UCSF

ZINC45966600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 30 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) -0.52 5.1 -56.99 2 9 1 85 423.534 10
Mid Mid (pH 6-8) -0.52 6.18 -110.6 3 9 2 89 424.542 10

Activity (Go SEA)

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