UCSF

ZINC52280846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.10 5.62 -10.79 1 8 0 98 348.403 6
Lo Low (pH 4.5-6) 1.10 7.84 -58.55 2 8 1 100 349.411 6

Activity (Go SEA)

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