UCSF

ZINC35126080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 0.19 2.64 -60.52 1 6 -1 103 290.361 5
Lo Low (pH 4.5-6) 0.19 0.82 -21.07 2 6 0 101 291.369 5

Activity (Go SEA)

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