UCSF

ZINC59739430

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 32 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) 9.06 18.9 -138.09 1 5 -2 92 445.644 21
Lo Low (pH 4.5-6) 9.06 16.86 -56.04 2 5 -1 89 446.652 21
Lo Low (pH 4.5-6) 9.06 16.91 -61.74 2 5 -1 89 446.652 21

Activity (Go SEA)

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