UCSF

ZINC34849866

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 4.41 9.88 -61.76 4 6 1 92 514.671 8
Hi High (pH 8-9.5) 4.41 8.53 -16.7 3 6 0 87 513.663 8

Activity (Go SEA)

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