UCSF

ZINC35223105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 2.21 3.91 -48.9 2 3 1 51 292.783 3
Mid Mid (pH 6-8) 2.21 2.72 -11.61 1 3 0 46 291.775 3

Activity (Go SEA)

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