UCSF

ZINC26787121

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 34 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) 6.97 12.91 -10.56 0 5 0 76 497.06 6
Mid Mid (pH 6-8) 6.97 13.27 -39.61 1 5 1 78 498.068 6

Activity (Go SEA)

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