UCSF

ZINC41545588

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 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) 3.46 6.73 -18.87 2 7 0 93 388.493 7
Hi High (pH 8-9.5) 3.65 5.45 -50.04 1 7 -1 100 387.485 7

Activity (Go SEA)

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