UCSF

ZINC34660467

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 3.72 9.66 -55.69 2 5 1 72 279.36 7
Hi High (pH 8-9.5) 3.72 8.3 -9.97 1 5 0 67 278.352 7

Activity (Go SEA)

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