UCSF

ZINC31934763

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.35 10.12 -54.5 2 4 1 52 332.493 4
Hi High (pH 8-9.5) 3.35 8.8 -10.79 1 4 0 47 331.485 4

Activity (Go SEA)

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