UCSF

ZINC21639935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 20 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) 2.00 9.01 -42.28 1 5 1 43 277.392 3
Mid Mid (pH 6-8) 2.00 7.09 -6.02 0 5 0 41 276.384 3

Activity (Go SEA)

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