UCSF

ZINC37820304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 No

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) -0.87 0.69 -69.66 3 7 1 108 316.403 5
Hi High (pH 8-9.5) -0.87 0.37 -24.81 2 7 0 107 315.395 5

Activity (Go SEA)

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