UCSF

ZINC48246370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 13 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) -0.57 -0.37 -9.12 2 5 0 67 204.251 4
Mid Mid (pH 6-8) -0.57 0.83 -41.1 3 5 1 72 205.259 4

Activity (Go SEA)

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