UCSF

ZINC37877926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 0.53 -0.63 -8.74 2 6 0 63 294.351 5
Mid Mid (pH 6-8) 0.53 1.63 -44.91 3 6 1 64 295.359 5

Activity (Go SEA)

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