UCSF

ZINC35003204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 3.17 8.51 -65.24 0 9 -1 107 510.563 11
Lo Low (pH 4.5-6) 3.17 7.75 -20.03 1 9 0 104 511.571 11

Activity (Go SEA)

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