UCSF

ZINC39750729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 2.21 5.56 -11.29 2 6 0 80 320.418 7
Hi High (pH 8-9.5) 2.21 5.36 -44.78 1 6 -1 78 319.41 7

Activity (Go SEA)

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