UCSF

ZINC39690309

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 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) 0.86 10.03 -77.34 3 9 1 96 529.665 6
Lo Low (pH 4.5-6) 0.86 10.35 -118.79 4 9 2 98 530.673 6

Activity (Go SEA)

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