UCSF

ZINC69875148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 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) 3.39 8.66 -103.79 4 3 2 41 314.473 6
Hi High (pH 8-9.5) 3.39 7.77 -34.47 3 3 1 37 313.465 6

Activity (Go SEA)

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