UCSF

ZINC43676617

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 2.54 1.11 -43.29 2 7 -1 107 279.32 7
Mid Mid (pH 6-8) 2.08 3.84 -10.51 3 7 0 104 280.328 7

Activity (Go SEA)

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