UCSF

ZINC37808726

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.88 6.46 -40.63 2 3 1 37 241.742 5
Hi High (pH 8-9.5) 1.88 5.02 -9.57 1 3 0 32 240.734 5

Activity (Go SEA)

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