UCSF

ZINC36839065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) -0.93 5.34 -30.72 2 5 0 77 228.292 6
Hi High (pH 8-9.5) -0.93 4.34 -48.3 1 5 -1 72 227.284 6

Activity (Go SEA)

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