UCSF

ZINC09012635

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 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) 2.58 6.53 -23.51 1 6 0 77 301.327 5
Hi High (pH 8-9.5) 2.76 5.47 -47.69 0 6 -1 84 300.319 5

Activity (Go SEA)

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