UCSF

ZINC36239666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 27 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) 3.65 10.39 -50.7 2 5 1 46 385.919 4
Lo Low (pH 4.5-6) 3.65 10.35 -85.56 3 5 2 48 386.927 4

Activity (Go SEA)

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