UCSF

ZINC43427482

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.54 2.73 -41.44 2 4 1 46 243.352 1
Mid Mid (pH 6-8) 0.54 1.61 -9.08 1 4 0 42 242.344 1

Activity (Go SEA)

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