UCSF

ZINC41246090

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 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) 1.29 6.36 -21.3 1 6 0 69 314.389 2
Lo Low (pH 4.5-6) 1.29 6.84 -52.94 2 6 1 71 315.397 2

Activity (Go SEA)

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