UCSF

ZINC39723987

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 29 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) 6.39 12.57 -17.26 1 5 0 64 486.416 6
Hi High (pH 8-9.5) 5.91 10.87 -51.58 0 5 -1 70 485.408 6

Activity (Go SEA)

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