UCSF

ZINC07422098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 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) 2.25 -4.22 -13.72 2 4 0 66 299.298 4
Hi High (pH 8-9.5) 2.25 -3.64 -52.29 1 4 -1 68 298.29 4

Activity (Go SEA)

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