UCSF

ZINC34686466

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 0.27 5.08 -54.13 2 5 1 55 297.35 6
Hi High (pH 8-9.5) 0.27 3.71 -15.47 1 5 0 51 296.342 6

Activity (Go SEA)

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