UCSF

ZINC58356965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 26 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) 3.44 8.65 -13.31 1 7 0 101 371.78 6
Lo Low (pH 4.5-6) 3.44 9.11 -41.7 2 7 1 102 372.788 6

Activity (Go SEA)

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