UCSF

ZINC39898427

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 5.00 8.74 -9.55 2 5 0 69 399.853 5
Mid Mid (pH 6-8) 5.00 8.87 -12.65 2 5 0 69 399.853 5

Activity (Go SEA)

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