UCSF

ZINC16898906

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.93 10.86 -27.01 2 6 0 92 477.611 7
Hi High (pH 8-9.5) 6.39 9.62 -62.09 1 6 -1 95 476.603 7

Activity (Go SEA)

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