UCSF

ZINC36876952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 0.47 6.37 -49.34 4 6 1 102 275.332 4
Hi High (pH 8-9.5) 0.47 6.14 -11.59 3 6 0 101 274.324 4
Lo Low (pH 4.5-6) 0.47 6.33 -125.79 5 6 2 103 276.34 4

Activity (Go SEA)

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