UCSF

ZINC47305781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 28 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) 1.39 6.23 -48.39 3 6 1 66 381.5 6
Hi High (pH 8-9.5) 1.39 3.85 -15.74 2 6 0 65 380.492 6

Activity (Go SEA)

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