UCSF

ZINC06454289

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 21 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) 2.27 6.69 -14.8 1 6 0 85 319.367 3
Hi High (pH 8-9.5) 2.34 5.06 -56.24 0 6 -1 91 318.359 3

Activity (Go SEA)

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