UCSF

ZINC35403211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 28 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) 4.13 7.13 -16.89 2 7 0 93 404.536 9
Hi High (pH 8-9.5) 4.31 5.62 -47.24 1 7 -1 100 403.528 9

Activity (Go SEA)

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