UCSF

ZINC31519767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

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) 6.73 12.33 -51.03 1 3 -1 60 455.703 1
Lo Low (pH 4.5-6) 6.73 10.37 -5.69 2 3 0 58 456.711 1

Vendor Notes

Note Type Comments Provided By
MP 311 TCI

Activity (Go SEA)

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