UCSF

ZINC43425460

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.12 2.82 -14.51 2 5 0 59 299.44 6
Mid Mid (pH 6-8) -0.12 4.93 -49.4 3 5 1 60 300.448 6

Activity (Go SEA)

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