UCSF

ZINC42564100

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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) 4.05 9.52 -9.14 0 3 0 30 334.242 3
Lo Low (pH 4.5-6) 4.05 9.96 -28.44 1 3 1 31 335.25 3

Activity (Go SEA)

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