UCSF

ZINC03634881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 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) 1.99 9.37 -41.16 1 3 1 25 255.341 2
Hi High (pH 8-9.5) 1.99 6.89 -12.85 0 3 0 24 254.333 2

Activity (Go SEA)

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