UCSF

ZINC37809989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 3.11 7.57 -35.98 2 3 1 37 277.432 2
Hi High (pH 8-9.5) 3.11 6.37 -6.89 1 3 0 32 276.424 2

Activity (Go SEA)

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