UCSF

ZINC25559575

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 23 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) 2.14 6.25 -15.2 2 5 0 71 345.449 3
Hi High (pH 8-9.5) 2.21 5.34 -42.12 1 5 -1 77 344.441 3

Activity (Go SEA)

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