UCSF

ZINC06471932

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 24 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) 2.89 6.93 -12.91 2 10 0 149 327.256 4
Hi High (pH 8-9.5) 3.35 5.04 -32.96 1 10 -1 152 326.248 4
Hi High (pH 8-9.5) 3.35 4.78 -37.61 1 10 -1 152 326.248 4

Activity (Go SEA)

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