UCSF

ZINC37792448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) -0.05 0.8 -49.53 2 5 -1 89 200.214 4
Lo Low (pH 4.5-6) -0.05 -1.2 -10.45 3 5 0 87 201.222 4

Activity (Go SEA)

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