UCSF

ZINC04265062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 27 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) -0.27 2.29 -25.34 1 9 0 118 363.333 4
Hi High (pH 8-9.5) -0.20 0.16 -62.63 0 9 -1 125 362.325 4
Lo Low (pH 4.5-6) -0.27 2.76 -60.1 2 9 1 120 364.341 4

Activity (Go SEA)

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