UCSF

ZINC09553669

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 33 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) 4.96 8.32 -13.37 6 7 0 119 432.487 4
Lo Low (pH 4.5-6) 4.96 8.65 -35.83 7 7 1 120 433.495 4
Lo Low (pH 4.5-6) 4.96 9.13 -70.47 8 7 2 121 434.503 4

Activity (Go SEA)

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