UCSF

ZINC45753796

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 2.47 6.57 -33.75 2 4 1 37 294.463 4
Hi High (pH 8-9.5) 2.47 4.41 -7.03 1 4 0 36 293.455 4

Activity (Go SEA)

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