UCSF

ZINC35719243

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 12 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) 0.25 2.69 -9.75 2 2 0 29 200.332 4
Mid Mid (pH 6-8) 0.25 4.34 -40.16 3 2 1 30 201.34 4

Activity (Go SEA)

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