UCSF

ZINC34657691

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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) 3.25 7.12 -44.32 2 4 1 42 296.394 3
Hi High (pH 8-9.5) 3.25 5.92 -5.3 1 4 0 37 295.386 3
Lo Low (pH 4.5-6) 3.25 7.6 -88.86 3 4 2 43 297.402 3

Activity (Go SEA)

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