UCSF

ZINC43915599

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.19 7 -110.81 3 3 2 30 250.386 5
Hi High (pH 8-9.5) 2.19 4.14 -3.27 1 3 0 24 248.37 5
Mid Mid (pH 6-8) 2.19 5.96 -35.29 2 3 1 26 249.378 5

Activity (Go SEA)

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