UCSF

ZINC39677789

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) 2.11 6.71 -52.76 3 7 1 78 457.639 8
Lo Low (pH 4.5-6) 2.11 8.97 -107.51 4 7 2 80 458.647 8

Activity (Go SEA)

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