UCSF

ZINC37833642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.77 7.82 -57.36 0 5 -1 64 295.403 7
Mid Mid (pH 6-8) 1.77 10.02 -73.49 1 5 0 65 296.411 7
Lo Low (pH 4.5-6) 1.77 7.47 -42.85 2 5 1 62 297.419 7

Activity (Go SEA)

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