UCSF

ZINC37818089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.14 -0.74 -40.05 5 7 1 111 259.33 7
Hi High (pH 8-9.5) -1.14 -1.07 -14.77 4 7 0 110 258.322 7

Activity (Go SEA)

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