UCSF

ZINC33750161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 31 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) 2.59 7.54 -25.05 2 8 0 101 446.573 10
Hi High (pH 8-9.5) 2.41 6.46 -63.15 1 8 -1 107 445.565 10

Activity (Go SEA)

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