UCSF

ZINC04450216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 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) 3.58 -3 -10.59 1 5 0 63 392.278 4
Hi High (pH 8-9.5) 3.58 -2.57 -41.88 0 5 -1 66 391.27 4

Activity (Go SEA)

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