UCSF

ZINC21806218

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.02 4.23 -59.09 1 6 -1 110 309.367 9
Lo Low (pH 4.5-6) 2.02 3.11 -19.73 2 6 0 107 310.375 9

Activity (Go SEA)

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