UCSF

ZINC22037949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 0.87 6.57 -47.68 2 4 1 49 248.35 7
Mid Mid (pH 6-8) 0.87 4.97 -59.57 2 4 1 53 248.35 7

Activity (Go SEA)

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