UCSF

ZINC34678609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 21 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) 2.49 9.48 -47.87 2 5 1 49 288.419 2
Hi High (pH 8-9.5) 2.49 8.13 -8.63 1 5 0 44 287.411 2

Activity (Go SEA)

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