UCSF

ZINC43569789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 32 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) 7.28 13.02 -43.75 3 5 1 64 465.724 17
Mid Mid (pH 6-8) 7.28 11.86 -13.2 2 5 0 60 464.716 17

Activity (Go SEA)

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