UCSF

ZINC16897894

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) 5.65 8.41 -23.36 2 7 0 93 481.599 8
Hi High (pH 8-9.5) 6.11 7.17 -58.71 1 7 -1 96 480.591 8

Activity (Go SEA)

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