UCSF

ZINC21629000

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) 2.59 5.61 -61.12 2 6 1 71 410.466 6
Mid Mid (pH 6-8) 2.59 6.51 -20.31 1 6 0 70 409.458 6

Activity (Go SEA)

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