UCSF

ZINC48865497

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 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) -0.88 -2.76 -46.38 6 6 1 109 281.332 4
Mid Mid (pH 6-8) -0.88 -3.06 -11.49 5 6 0 107 280.324 4

Activity (Go SEA)

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