UCSF

ZINC35870359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 36 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) 3.36 12.92 -17.72 1 9 0 118 482.544 6
Lo Low (pH 4.5-6) 3.36 13.28 -51.28 2 9 1 119 483.552 6

Activity (Go SEA)

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