UCSF

ZINC19430220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 1.43 6.95 -44.41 4 4 1 63 270.356 5
Hi High (pH 8-9.5) 1.43 4.55 -9.71 3 4 0 62 269.348 5

Activity (Go SEA)

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