UCSF

ZINC04140097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 26 Yes

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) 1.76 -3.94 -13.8 3 6 0 91 365.311 4
Lo Low (pH 4.5-6) 1.76 -3.83 -48.72 4 6 1 92 366.319 4

Activity (Go SEA)

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