UCSF

ZINC04146252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 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) 1.04 5.82 -95.56 6 8 2 128 421.567 10
Hi High (pH 8-9.5) 1.04 5.39 -45.78 5 8 1 126 420.559 10

Activity (Go SEA)

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