UCSF

ZINC38202320

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 20 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) -4.77 0.72 -125.69 9 10 0 203 289.292 9
Hi High (pH 8-9.5) -4.77 0.36 -108.75 8 10 -1 201 288.284 9
Lo Low (pH 4.5-6) -4.77 -1.26 -103.1 10 10 1 200 290.3 9

Activity (Go SEA)

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