UCSF

ZINC35819326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 28 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) -0.48 3.1 -12.6 0 9 0 88 391.472 8
Mid Mid (pH 6-8) -0.48 5.36 -44.45 1 9 1 89 392.48 8

Activity (Go SEA)

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