UCSF

ZINC39676263

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) -0.38 5.7 -66.57 4 10 1 132 495.604 4
Hi High (pH 8-9.5) 0.08 3.23 -76.43 3 10 0 135 494.596 4

Activity (Go SEA)

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