UCSF

ZINC47296344

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 23 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) 4.24 10.63 -35.16 2 4 1 43 313.421 6
Hi High (pH 8-9.5) 4.24 8.13 -13.09 1 4 0 42 312.413 6

Activity (Go SEA)

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