UCSF

ZINC37826666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -1.63 -0.06 -46.06 4 5 1 77 200.262 2
Hi High (pH 8-9.5) -1.63 -0.38 -17.96 3 5 0 75 199.254 2

Activity (Go SEA)

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