UCSF

ZINC39724061

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 25 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) 5.43 11.04 -15.28 1 4 0 55 434.384 5
Hi High (pH 8-9.5) 5.62 9.28 -46.33 0 4 -1 61 433.376 5

Activity (Go SEA)

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