UCSF

ZINC32009945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 0.86 3.93 -94.75 4 3 2 41 202.342 5
Hi High (pH 8-9.5) 0.86 2.42 -38.12 3 3 1 37 201.334 5

Activity (Go SEA)

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