UCSF

ZINC35636214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 2.04 4.55 -42.81 3 7 1 93 401.483 6
Lo Low (pH 4.5-6) 2.04 4.98 -105.04 4 7 2 95 402.491 6

Activity (Go SEA)

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