UCSF

ZINC22746685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 2.06 7.95 -28.43 1 6 0 81 317.37 4
Hi High (pH 8-9.5) 2.24 6.88 -50.39 0 6 -1 88 316.362 4

Activity (Go SEA)

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