UCSF

ZINC22146331

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 29 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) 3.07 8.83 -124.89 4 5 2 49 400.611 9
Hi High (pH 8-9.5) 3.07 7.49 -38.89 3 5 1 45 399.603 9
Mid Mid (pH 6-8) 3.07 6.76 -49.74 3 5 1 48 399.603 9

Activity (Go SEA)

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