UCSF

ZINC19345787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 24 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) 3.42 8.75 -40.44 1 4 1 26 327.448 4
Hi High (pH 8-9.5) 3.42 6.5 -5.38 0 4 0 25 326.44 4
Mid Mid (pH 6-8) 3.42 8.82 -42.6 1 4 1 26 327.448 4

Activity (Go SEA)

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