UCSF

ZINC33889727

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 32 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) -0.49 12.63 -77.07 4 8 2 98 438.576 7
Hi High (pH 8-9.5) -0.42 11.65 -48.47 3 8 1 104 437.568 7

Activity (Go SEA)

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