UCSF

ZINC51800057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.81 9.45 -50.74 2 5 1 54 366.551 9
Hi High (pH 8-9.5) 2.81 7.25 -17.91 1 5 0 53 365.543 9

Activity (Go SEA)

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