UCSF

ZINC12371979

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 27 No

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) -5.01 1.11 -47.71 7 11 0 187 399.453 7
Hi High (pH 8-9.5) -5.01 0.78 -62.09 6 11 0 185 398.445 7

Activity (Go SEA)

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