UCSF

ZINC37857842

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 31 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) 4.60 9.63 -41.64 2 6 1 73 487.37 3
Mid Mid (pH 6-8) 4.60 10.4 -27.79 1 6 0 76 486.362 3

Activity (Go SEA)

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