UCSF

ZINC39676285

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 33 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) -0.59 4.89 -75.71 4 9 1 125 447.519 4
Hi High (pH 8-9.5) -0.13 2.3 -82.64 3 9 0 128 446.511 4

Activity (Go SEA)

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