UCSF

ZINC66391556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 21 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) 4.03 7.07 -7.86 2 3 0 41 314.832 7
Lo Low (pH 4.5-6) 4.03 8.06 -45.63 3 3 1 46 315.84 7

Activity (Go SEA)

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