UCSF

ZINC21632523

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 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) 2.66 5.85 -25.34 1 8 0 104 477.608 6
Mid Mid (pH 6-8) 2.66 5.92 -60.88 0 8 -1 106 476.6 6

Activity (Go SEA)

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