UCSF

ZINC14539753

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 34 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) 4.13 10.74 -9.72 2 8 0 94 462.55 9
Lo Low (pH 4.5-6) 4.13 11 -35.58 3 8 1 96 463.558 9

Activity (Go SEA)

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