UCSF

ZINC21787062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 22 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) 3.31 9.61 -14.36 0 4 0 38 299.418 4
Mid Mid (pH 6-8) 3.31 10.02 -27.54 1 4 1 39 300.426 4

Activity (Go SEA)

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