UCSF

ZINC39967630

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 4.99 12.34 -20.79 1 8 0 95 501.037 9
Hi High (pH 8-9.5) 5.18 10.91 -53.44 0 8 -1 101 500.029 9

Activity (Go SEA)

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