UCSF

ZINC39548079

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 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) 3.30 7.26 -14.35 2 6 0 80 391.471 8
Lo Low (pH 4.5-6) 3.30 7.65 -40.6 3 6 1 82 392.479 8

Activity (Go SEA)

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