UCSF

ZINC43437020

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.29 2.09 -5.19 1 5 0 72 226.276 3
Hi High (pH 8-9.5) 1.74 -0.45 -36.85 0 5 -1 75 225.268 3

Activity (Go SEA)

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