UCSF

ZINC07607975

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 27 No

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) 1.26 7.67 -44.82 3 7 1 83 369.445 7
Hi High (pH 8-9.5) 1.08 7.03 -39.79 2 7 0 89 368.437 7
Hi High (pH 8-9.5) 1.26 5.5 -19.26 2 7 0 82 368.437 7

Activity (Go SEA)

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