UCSF

ZINC21801057

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 2.31 6.61 -34.94 2 3 1 29 228.747 6
Hi High (pH 8-9.5) 2.31 4.29 -3.97 1 3 0 28 227.739 6

Activity (Go SEA)

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