UCSF

ZINC51857815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 23 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) 2.82 7.71 -34.53 2 5 1 54 324.489 6
Hi High (pH 8-9.5) 2.82 5.72 -6.97 1 5 0 53 323.481 6

Activity (Go SEA)

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