UCSF

ZINC39762097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 4.31 11.23 -26.53 2 7 0 101 456.527 8
Hi High (pH 8-9.5) 4.38 9.55 -66.09 1 7 -1 107 455.519 8

Activity (Go SEA)

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