UCSF

ZINC41651153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 39 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) 5.71 12.09 -13.21 0 7 0 66 524.617 7
Lo Low (pH 4.5-6) 5.71 14.95 -53.41 1 7 1 67 525.625 7

Activity (Go SEA)

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