UCSF

ZINC62272001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 22 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) 2.69 6.46 -43.58 2 5 1 52 374.299 10
Hi High (pH 8-9.5) 2.69 3.92 -11.43 1 5 0 51 373.291 10

Activity (Go SEA)

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