UCSF

ZINC37998880

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 13 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) 2.82 6.5 -27.42 2 2 1 26 179.287 5
Mid Mid (pH 6-8) 2.82 6.03 -3.91 1 2 0 25 178.279 5

Activity (Go SEA)

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