UCSF

ZINC05314596

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.66 -8.27 -24.92 1 6 0 83 318.42 5
Hi High (pH 8-9.5) 1.66 -7.7 -57.3 0 6 -1 85 317.412 5

Activity (Go SEA)

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