UCSF

ZINC44727287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 2.69 9.62 -44.58 1 3 1 22 276.791 3
Hi High (pH 8-9.5) 2.69 7.29 -7.36 0 3 0 21 275.783 3
Lo Low (pH 4.5-6) 2.69 10.06 -88.07 2 3 2 24 277.799 3

Activity (Go SEA)

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