UCSF

ZINC39548090

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 25 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) 4.16 8.43 -11.71 1 4 0 51 375.255 5
Lo Low (pH 4.5-6) 4.16 8.8 -38.82 2 4 1 52 376.263 5

Activity (Go SEA)

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