UCSF

ZINC37862766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.60 1.66 -41.26 3 4 1 53 227.328 8
Mid Mid (pH 6-8) 0.60 3.79 -113.65 4 4 2 54 228.336 8

Activity (Go SEA)

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