UCSF

ZINC37800724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.57 2.79 -45.2 3 5 1 66 225.316 4
Hi High (pH 8-9.5) -0.57 2.47 -12.84 2 5 0 64 224.308 4

Activity (Go SEA)

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