UCSF

ZINC09422384

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 3.94 1.34 -62.51 1 5 1 56 405.861 3
Lo Low (pH 4.5-6) 3.94 1.46 -126.16 2 5 2 58 406.869 3

Activity (Go SEA)

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