UCSF

ZINC37776882

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) 4.63 6.55 -4.22 2 2 0 32 289.806 5
Hi High (pH 8-9.5) 4.63 7.31 -39.98 1 2 -1 35 288.798 5
Mid Mid (pH 6-8) 4.63 7.75 -38.15 3 2 1 37 290.814 5

Activity (Go SEA)

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