UCSF

ZINC08042008

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 26 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) 6.21 11.75 -28.85 2 4 1 52 343.406 5
Hi High (pH 8-9.5) 6.21 11.36 -9.2 1 4 0 51 342.398 5

Activity (Go SEA)

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