UCSF

ZINC02162255

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 38 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) 8.95 19.22 -11.87 0 2 0 25 484.602 4
Ref Reference (pH 7) 8.95 20.62 -12.38 0 2 0 25 484.602 4
Lo Low (pH 4.5-6) 8.95 20.62 -45.8 1 2 0 26 485.61 4
Lo Low (pH 4.5-6) 8.95 18.37 -36.38 1 2 1 26 485.61 4
Lo Low (pH 4.5-6) 8.95 19.24 -11.93 1 2 0 26 485.61 4
Lo Low (pH 4.5-6) 8.95 19.66 -39.56 1 2 1 26 485.61 4

Activity (Go SEA)

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