UCSF

ZINC37989018

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 1.18 8.22 -47.62 2 5 1 57 259.333 7
Hi High (pH 8-9.5) 1.18 6.83 -14.37 1 5 0 52 258.325 7

Activity (Go SEA)

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