UCSF

ZINC39302291

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 3.00 9.08 -48.06 3 6 1 68 397.543 8
Lo Low (pH 4.5-6) 3.00 9.55 -95.68 4 6 2 69 398.551 8

Activity (Go SEA)

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