UCSF

ZINC21816427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.15 11.09 -37.92 2 1 1 17 286.826 3
Mid Mid (pH 6-8) 4.15 10.01 -2.65 1 1 0 12 285.818 3

Activity (Go SEA)

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