UCSF

ZINC31976216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 3.22 9.17 -60.09 1 5 -1 82 337.38 5
Hi High (pH 8-9.5) 3.29 8.27 -116.33 0 5 -2 88 336.372 5

Activity (Go SEA)

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