UCSF

ZINC41541262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 No

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) 2.80 7.65 -59.35 0 7 -1 88 408.43 6
Lo Low (pH 4.5-6) 2.80 6.91 -14.98 1 7 0 85 409.438 6

Activity (Go SEA)

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