UCSF

ZINC39304234

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 2.63 9.11 -57.51 2 8 1 91 426.493 8
Lo Low (pH 4.5-6) 2.63 9.58 -104.27 3 8 2 92 427.501 8

Activity (Go SEA)

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