UCSF

ZINC32072219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 1.38 5.26 -49.85 2 5 1 49 318.441 5
Hi High (pH 8-9.5) 1.38 3.92 -12.44 1 5 0 45 317.433 5
Mid Mid (pH 6-8) 1.38 7.44 -98.35 3 5 2 51 319.449 5

Activity (Go SEA)

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