UCSF

ZINC39684987

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) -0.77 7.32 -60.14 3 8 1 108 407.498 4
Lo Low (pH 4.5-6) -0.77 7.84 -102.29 4 8 2 109 408.506 4

Activity (Go SEA)

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