UCSF

ZINC07688175

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 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) 3.97 11.89 -37.38 2 3 1 34 371.551 7
Hi High (pH 8-9.5) 3.97 9.87 -8.81 1 3 0 32 370.543 7

Activity (Go SEA)

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