UCSF

ZINC41666600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

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) 4.48 11.64 -14.95 0 6 0 69 439.483 7
Lo Low (pH 4.5-6) 4.48 14.48 -54.79 1 6 1 70 440.491 7

Activity (Go SEA)

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