UCSF

ZINC58018522

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 29 Yes

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) 2.66 5.59 -22.66 2 7 0 74 396.491 7
Lo Low (pH 4.5-6) 2.66 7.74 -50.19 3 7 1 75 397.499 7

Activity (Go SEA)

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