UCSF

ZINC37128780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 Yes

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) 4.51 10.57 -50.39 2 2 1 40 297.447 5
Hi High (pH 8-9.5) 4.51 9.41 -6.06 1 2 0 36 296.439 5

Activity (Go SEA)

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