UCSF

ZINC16895535

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) 4.55 9.12 -24.83 3 7 0 104 478.599 6
Hi High (pH 8-9.5) 5.01 7.76 -57.3 2 7 -1 107 477.591 6

Activity (Go SEA)

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