UCSF

ZINC45651307

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.73 5.76 -111.73 4 3 2 41 250.386 5
Hi High (pH 8-9.5) 1.73 2.16 -3.19 2 3 0 35 248.37 5
Mid Mid (pH 6-8) 1.73 4.58 -32.41 3 3 1 37 249.378 5
Lo Low (pH 4.5-6) 1.73 3.34 -41.5 3 3 1 40 249.378 5

Activity (Go SEA)

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