UCSF

ZINC22681495

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 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) 4.12 11.61 -46.73 2 3 1 34 387.594 5
Mid Mid (pH 6-8) 4.12 9.47 -9.33 1 3 0 32 386.586 5

Activity (Go SEA)

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