UCSF

ZINC07150643

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2006 21 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) 3.19 7.14 -9.71 2 5 0 71 304.419 6
Hi High (pH 8-9.5) 3.19 6.8 -47.18 1 5 -1 69 303.411 6

Activity (Go SEA)

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