UCSF

ZINC31934462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.99 8.78 -66.01 1 5 0 62 293.754 3
Hi High (pH 8-9.5) 1.99 6.42 -51.27 0 5 -1 61 292.746 3
Lo Low (pH 4.5-6) 1.99 9.23 -113.85 2 5 1 63 294.762 3

Activity (Go SEA)

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