UCSF

ZINC31963647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.41 5.46 -56.09 4 5 1 79 320.438 8
Hi High (pH 8-9.5) 2.60 4.31 -56.96 3 5 0 85 319.43 8

Activity (Go SEA)

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