UCSF

ZINC20033812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 28 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) 2.77 4.19 -17.11 2 7 0 87 443.301 4
Hi High (pH 8-9.5) 3.23 2.58 -43 1 7 -1 90 442.293 4
Hi High (pH 8-9.5) 3.23 2.26 -51.87 1 7 -1 90 442.293 4
Lo Low (pH 4.5-6) 2.59 6.55 -86.52 4 7 2 86 445.317 5
Lo Low (pH 4.5-6) 2.77 6.58 -51.07 3 7 1 88 444.309 4
Lo Low (pH 4.5-6) 2.77 6.44 -57.5 3 7 1 88 444.309 4

Activity (Go SEA)

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