UCSF

ZINC21822155

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.45 6.57 -6.73 1 4 0 49 305.809 3
Mid Mid (pH 6-8) 3.45 9.02 -45.52 2 4 1 50 306.817 3

Activity (Go SEA)

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