UCSF

ZINC66391512

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 22 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) 3.65 8.09 -8.41 1 3 0 32 326.843 4
Lo Low (pH 4.5-6) 3.65 8.97 -46.25 2 3 1 37 327.851 4

Activity (Go SEA)

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