UCSF

ZINC32113722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.69 4.18 -40.51 3 3 1 40 265.421 7
Hi High (pH 8-9.5) 2.69 3.08 -2.54 2 3 0 35 264.413 7
Mid Mid (pH 6-8) 2.69 5.79 -39.26 3 3 1 37 265.421 7

Activity (Go SEA)

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