UCSF

ZINC33798782

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 19 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) 1.91 7.27 -8.75 0 5 0 64 269.341 4
Mid Mid (pH 6-8) 2.66 6.36 -41.88 0 5 -1 70 268.333 4

Activity (Go SEA)

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