UCSF

ZINC39757004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 2.19 8.44 -13.93 1 8 0 95 423.498 9
Lo Low (pH 4.5-6) 2.19 8.91 -46.12 2 8 1 96 424.506 9

Activity (Go SEA)

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