UCSF

ZINC19927960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 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) 4.35 12.74 -73.75 1 5 0 65 424.516 8
Lo Low (pH 4.5-6) 4.35 11.92 -51.33 2 5 1 62 425.524 8

Activity (Go SEA)

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