UCSF

ZINC05897769

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 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) 3.70 6.2 -28.96 2 8 -1 122 406.216 6
Lo Low (pH 4.5-6) 3.70 5.43 -13.29 3 8 0 120 407.224 6

Activity (Go SEA)

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