UCSF

ZINC35126197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 20 Yes

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) 2.63 8.49 -59.18 1 4 -1 69 276.356 6
Lo Low (pH 4.5-6) 2.63 6.57 -13.02 2 4 0 66 277.364 6

Activity (Go SEA)

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