UCSF

ZINC37328343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 3.20 8.36 -32.6 3 2 1 30 295.859 6
Hi High (pH 8-9.5) 3.20 6.19 -3.1 2 2 0 29 294.851 6
Mid Mid (pH 6-8) 3.20 6.38 -53.69 3 2 1 31 295.859 6

Activity (Go SEA)

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