UCSF

ZINC08062829

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 25 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) 3.27 10.28 -47.55 2 4 1 43 341.475 9
Hi High (pH 8-9.5) 3.27 7.81 -10.7 1 4 0 42 340.467 9

Activity (Go SEA)

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