UCSF

ZINC35113581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 2.87 9.92 -46.82 2 3 1 34 278.379 6
Hi High (pH 8-9.5) 2.87 8.56 -6.81 1 3 0 30 277.371 6

Activity (Go SEA)

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