UCSF

ZINC34957502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 2.75 5.51 -41.77 3 3 1 46 251.375 3
Mid Mid (pH 6-8) 2.75 4.14 -6.99 2 3 0 41 250.367 3

Activity (Go SEA)

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