UCSF

ZINC39767323

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 5.62 10.2 -20.59 2 8 0 102 494.96 7
Hi High (pH 8-9.5) 5.69 8.55 -58.03 1 8 -1 109 493.952 7

Activity (Go SEA)

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