UCSF

ZINC19842379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 22 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) 4.46 10.59 -34.46 1 2 1 8 301.498 4
Hi High (pH 8-9.5) 4.46 8.31 -1.64 0 2 0 6 300.49 4
Mid Mid (pH 6-8) 4.46 10.64 -34.83 1 2 1 8 301.498 4

Activity (Go SEA)

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