UCSF

ZINC37799553

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.81 -0.92 -40.17 3 6 1 70 284.38 3
Mid Mid (pH 6-8) -0.81 1.3 -92.97 4 6 2 71 285.388 3

Activity (Go SEA)

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