UCSF

ZINC01239924

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 27 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) 2.97 8.76 -48.93 1 5 -1 74 378.408 2
Lo Low (pH 4.5-6) 2.51 9.84 -14.16 2 5 0 71 379.416 2

Activity (Go SEA)

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