UCSF

ZINC39754930

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 No

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) 3.59 5.3 -25.08 2 10 0 143 409.402 7
Hi High (pH 8-9.5) 3.66 2.62 -60.34 1 10 -1 149 408.394 7

Activity (Go SEA)

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