UCSF

ZINC25540147

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 33 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) 3.75 7.09 -17.55 4 8 0 120 448.523 8
Hi High (pH 8-9.5) 3.75 7.84 -66.85 3 8 -1 123 447.515 8
Lo Low (pH 4.5-6) 3.75 7.37 -38.8 5 8 1 121 449.531 8

Activity (Go SEA)

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