UCSF

ZINC49282774

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 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) 2.59 5.16 -40.36 2 4 1 51 348.286 4
Hi High (pH 8-9.5) 2.59 5 -35.62 1 4 0 53 347.278 4
Hi High (pH 8-9.5) 2.59 2.68 -8.02 1 4 0 49 347.278 4

Activity (Go SEA)

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