UCSF

ZINC36231594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 Yes

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) -1.05 0.37 -74.32 2 8 0 99 269.305 6
Mid Mid (pH 6-8) -1.05 -1.88 -51.82 1 8 -1 98 268.297 6

Activity (Go SEA)

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