UCSF

ZINC35774507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 31 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) 2.76 6.94 -13.4 1 7 0 71 427.545 6
Lo Low (pH 4.5-6) 2.76 9.45 -50.68 2 7 1 72 428.553 6

Activity (Go SEA)

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