UCSF

ZINC34602438

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) -3.50 -4.4 -98.15 2 8 -2 155 318.284 2
Hi High (pH 8-9.5) -3.50 -3.37 -194.19 1 8 -3 158 317.276 2

Activity (Go SEA)

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