UCSF

ZINC38734721

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 33 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) -0.26 -11.32 -20.26 9 12 0 221 464.379 3
Hi High (pH 8-9.5) -0.26 -10.33 -69.32 8 12 -1 224 463.371 3

Activity (Go SEA)

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