UCSF

ZINC21639837

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 2.52 9 -13.61 1 7 0 64 377.448 4
Mid Mid (pH 6-8) 2.52 11.34 -50.29 2 7 1 66 378.456 4

Activity (Go SEA)

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