UCSF

ZINC22329820

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 23 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) 5.92 13.96 -37.1 1 1 1 4 328.545 5
Hi High (pH 8-9.5) 5.92 11.6 -3.06 0 1 0 3 327.537 5

Activity (Go SEA)

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