UCSF

ZINC62952149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) -0.20 1.21 -48.3 4 5 1 77 256.37 5
Hi High (pH 8-9.5) -0.20 0.83 -4.76 3 5 0 75 255.362 5

Activity (Go SEA)

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