UCSF

ZINC13372357

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.44 13.51 -55.54 0 4 -1 74 467.67 1
Lo Low (pH 4.5-6) 5.44 11.55 -11.19 1 4 0 71 468.678 1

Activity (Go SEA)

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