UCSF

ZINC44718551

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 2.14 9.93 -22.99 1 7 0 86 396.491 5
Hi High (pH 8-9.5) 2.60 7.37 -53.37 0 7 -1 89 395.483 5

Activity (Go SEA)

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