UCSF

ZINC34478821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 30 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) 2.97 6.44 -17.56 2 7 0 94 475.339 10
Hi High (pH 8-9.5) 3.43 3.85 -56.64 1 7 -1 97 474.331 10

Activity (Go SEA)

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