UCSF

ZINC26170376

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 22 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) 1.90 6.31 -35.77 2 5 1 52 307.414 9
Hi High (pH 8-9.5) 1.90 4.2 -9.18 1 5 0 51 306.406 9

Activity (Go SEA)

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