UCSF

ZINC31936551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.67 9.37 -19.32 0 4 0 51 297.745 4
Lo Low (pH 4.5-6) 3.67 9.77 -44.22 1 4 1 52 298.753 4

Activity (Go SEA)

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