UCSF

ZINC39745080

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 2.96 2.12 -23.16 2 8 0 106 406.32 6
Hi High (pH 8-9.5) 3.03 -0.02 -62.31 1 8 -1 113 405.312 6

Activity (Go SEA)

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