UCSF

ZINC31959570

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.85 1.45 -61.34 5 7 1 108 333.393 3
Hi High (pH 8-9.5) 1.41 0.33 -17.05 4 7 0 110 332.385 2
Mid Mid (pH 6-8) 0.67 0.38 -46.54 4 7 0 114 332.385 3

Activity (Go SEA)

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