UCSF

ZINC05331031

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.42 11.93 -10.59 0 4 0 37 393.556 4
Lo Low (pH 4.5-6) 6.42 12.25 -24.29 1 4 1 39 394.564 4

Activity (Go SEA)

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