UCSF

ZINC42244875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.70 7.41 -33.03 2 3 1 34 241.399 5
Hi High (pH 8-9.5) 2.70 5.21 -6.55 1 3 0 32 240.391 5

Activity (Go SEA)

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