UCSF

ZINC13471360

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 20 No

Download: MOL2 SDF SMILES Flexibase

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) 2.05 5.02 -11.36 1 4 0 67 265.268 1
Mid Mid (pH 6-8) 2.05 4.5 -9.87 1 4 0 67 265.268 1
Mid Mid (pH 6-8) 3.52 3.48 -11.08 2 4 0 70 265.268 1

Activity (Go SEA)

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