UCSF

ZINC22045021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) 2.35 9.17 -87.01 3 3 2 21 277.456 7
Hi High (pH 8-9.5) 2.35 6.64 -38.17 2 3 1 20 276.448 7

Activity (Go SEA)

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