UCSF

ZINC22003853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 Yes

Other Names:

MFCD13188636

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) 1.37 3.25 -3.77 0 2 0 16 148.209 1
Mid Mid (pH 6-8) 1.37 3.69 -32.07 1 2 1 17 149.217 1

Activity (Go SEA)

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