UCSF

ZINC38764291

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 17 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) 1.55 3.42 -44.5 1 6 -1 86 232.219 4
Lo Low (pH 4.5-6) 1.55 3.64 -12.43 2 6 0 88 233.227 4

Activity (Go SEA)

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