UCSF

ZINC02167408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 35 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) 5.64 9.87 -14.33 2 6 0 84 466.537 8
Hi High (pH 8-9.5) 5.64 11 -56.62 1 6 -1 86 465.529 8
Lo Low (pH 4.5-6) 5.64 10.38 -45.82 3 6 1 85 467.545 8

Activity (Go SEA)

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