UCSF

ZINC09357237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 34 No

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) 3.48 10.66 -47.1 2 7 1 84 466.602 11
Lo Low (pH 4.5-6) 3.93 10.62 -121.19 3 7 2 85 467.61 10

Activity (Go SEA)

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