UCSF

ZINC37050336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) -1.07 2.23 -90.41 4 5 2 56 244.383 5
Hi High (pH 8-9.5) -1.07 2.8 -84.8 4 5 2 56 244.383 5

Activity (Go SEA)

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