UCSF

ZINC21262246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 25 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) 2.96 10.96 -38.82 1 5 1 37 358.897 3
Mid Mid (pH 6-8) 2.96 8.61 -7.49 0 5 0 35 357.889 3
Lo Low (pH 4.5-6) 2.96 11.3 -91.04 2 5 2 38 359.905 3

Activity (Go SEA)

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