UCSF

ZINC33750063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 5.49 13.2 -16.76 2 6 0 74 484.644 10
Lo Low (pH 4.5-6) 5.49 13.64 -56.05 3 6 1 76 485.652 10

Activity (Go SEA)

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