UCSF

ZINC33639673

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 19 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) 3.09 8.25 -36.93 2 3 1 34 281.445 7
Hi High (pH 8-9.5) 3.09 6.18 -8.07 1 3 0 32 280.437 7

Activity (Go SEA)

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