UCSF

ZINC43609078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 28 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) 2.83 10.79 -45.32 1 5 1 51 374.464 3
Lo Low (pH 4.5-6) 2.83 11.26 -84.73 2 5 2 52 375.472 3

Activity (Go SEA)

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