UCSF

ZINC49309679

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) -0.43 -0.07 -97.58 5 5 2 64 270.299 6
Mid Mid (pH 6-8) -0.43 -2.26 -46.43 4 5 1 63 269.291 6
Lo Low (pH 4.5-6) -0.43 0.02 -117.98 5 5 2 64 270.299 6

Activity (Go SEA)

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