UCSF

ZINC41587760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.53 5.6 -18.09 0 6 0 77 490.375 2
Lo Low (pH 4.5-6) 3.53 8.69 -69.16 1 6 1 78 491.383 2

Activity (Go SEA)

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