UCSF

ZINC39767023

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 4.83 11.63 -12.96 2 6 0 80 430.533 9
Hi High (pH 8-9.5) 4.83 11.43 -46.08 1 6 -1 78 429.525 9

Activity (Go SEA)

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