UCSF

ZINC39680965

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 31 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) 1.36 7.72 -57.13 3 6 1 79 425.528 4
Lo Low (pH 4.5-6) 1.36 8.17 -107.41 4 6 2 80 426.536 4

Activity (Go SEA)

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