UCSF

ZINC08062793

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 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) 2.78 9.21 -44.8 2 3 1 34 283.395 5
Hi High (pH 8-9.5) 2.78 6.74 -7.6 1 3 0 32 282.387 5

Activity (Go SEA)

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