UCSF

ZINC37979882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 14 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) -0.67 4.22 -40.4 2 5 0 74 202.254 6
Hi High (pH 8-9.5) -0.67 2.3 -48.22 1 5 -1 72 201.246 6

Activity (Go SEA)

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