UCSF

ZINC54109024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 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) -0.05 1.8 -84.48 4 5 2 53 244.383 6
Hi High (pH 8-9.5) -0.05 0.45 -39.4 3 5 1 49 243.375 6

Activity (Go SEA)

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