UCSF

ZINC05729377

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 35 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) 3.00 3.97 -101.59 0 13 -2 190 516.517 8
Lo Low (pH 4.5-6) 3.00 4 -30.87 2 13 0 186 518.533 8
Lo Low (pH 4.5-6) 3.00 3.98 -65.28 1 13 -1 188 517.525 8
Lo Low (pH 4.5-6) 3.00 3.98 -61.12 1 13 -1 188 517.525 8

Activity (Go SEA)

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