UCSF

ZINC46380622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.34 7.86 -50.8 2 5 1 56 368.379 8
Hi High (pH 8-9.5) 2.34 5.39 -12.99 1 5 0 54 367.371 8

Activity (Go SEA)

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