UCSF

ZINC22526766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 26 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) 2.85 7.03 -25.52 1 7 0 78 378.36 4
Hi High (pH 8-9.5) 2.92 6.12 -52.72 0 7 -1 85 377.352 4

Activity (Go SEA)

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