UCSF

ZINC05865484

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 4.22 7.08 -12.58 2 7 0 103 351.149 3
Ref Reference (pH 7) 4.67 4.52 -10.92 2 7 0 103 351.149 3
Ref Reference (pH 7) 4.04 7.07 -40.21 3 7 1 101 352.157 4
Hi High (pH 8-9.5) 4.67 5.04 -39.08 1 7 -1 106 350.141 3

Activity (Go SEA)

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