UCSF

ZINC33854283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 35 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) 4.91 9.67 -21.07 2 8 0 102 506.971 7
Hi High (pH 8-9.5) 5.09 8.02 -45.27 1 8 -1 109 505.963 7

Activity (Go SEA)

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