UCSF

ZINC27594139

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 27 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) 2.26 5.46 -46.59 4 6 1 94 388.513 8
Hi High (pH 8-9.5) 2.26 3.33 -18.47 3 6 0 93 387.505 8

Activity (Go SEA)

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