UCSF

ZINC57287729

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 21 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) 4.10 5.38 -9.73 2 4 0 59 305.761 5
Hi High (pH 8-9.5) 4.10 6.16 -41.6 1 4 -1 61 304.753 5

Activity (Go SEA)

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