UCSF

ZINC19864336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 15 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) -0.87 -1.61 -48.39 4 6 1 86 216.261 4
Hi High (pH 8-9.5) -0.87 -3.19 -11.7 3 6 0 82 215.253 4

Activity (Go SEA)

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