UCSF

ZINC37820895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -1.30 -2.15 -52.09 6 6 1 103 229.304 3
Hi High (pH 8-9.5) -1.30 -2.48 -15.07 5 6 0 101 228.296 3

Activity (Go SEA)

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