UCSF

ZINC39755460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 0.84 4.58 -24.76 3 11 0 144 491.599 11
Hi High (pH 8-9.5) 1.03 3.38 -54.67 2 11 -1 150 490.591 11

Activity (Go SEA)

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