UCSF

ZINC39724016

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 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) 5.54 11.07 -19.62 1 5 0 64 423.922 7
Hi High (pH 8-9.5) 5.06 8.83 -58.47 0 5 -1 70 422.914 7

Activity (Go SEA)

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