UCSF

ZINC60700037

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.99 8.54 -38.24 2 1 1 17 271.222 6
Hi High (pH 8-9.5) 3.99 7.74 -1.75 1 1 0 12 270.214 6

Activity (Go SEA)

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