UCSF

ZINC05732364

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 23 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) 2.98 3.31 -11.65 2 6 0 89 314.293 3
Hi High (pH 8-9.5) 2.98 4.29 -55.39 1 6 -1 92 313.285 3
Mid Mid (pH 6-8) 2.98 3.69 -58.23 1 6 -1 92 313.285 3

Activity (Go SEA)

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