UCSF

ZINC36301369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 3.01 8.8 -61.45 2 5 1 53 352.458 5
Lo Low (pH 4.5-6) 3.01 9.55 -103.64 3 5 2 54 353.466 5

Activity (Go SEA)

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