UCSF

ZINC12233733

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 35 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) 2.71 8.42 -57.35 2 9 1 100 501.629 7
Hi High (pH 8-9.5) 2.71 5.94 -18.2 1 9 0 99 500.621 7

Activity (Go SEA)

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