UCSF

ZINC32120932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 2.26 4.35 -6.9 2 3 0 45 274.339 5
Mid Mid (pH 6-8) 2.26 5.49 -51.06 3 3 1 50 275.347 5
Lo Low (pH 4.5-6) 2.26 5.87 -129.66 4 3 2 51 276.355 5

Activity (Go SEA)

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