UCSF

ZINC42796737

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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 2.02 -15.66 1 5 0 70 296.27 5
Hi High (pH 8-9.5) 1.59 -0.03 -44.97 0 5 -1 73 295.262 5

Activity (Go SEA)

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