UCSF

ZINC66989118

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2011 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) 3.44 7.02 -38.37 3 3 1 40 291.459 6
Lo Low (pH 4.5-6) 3.44 7.67 -90.77 4 3 2 41 292.467 6

Activity (Go SEA)

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