UCSF

ZINC37835142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.86 9.39 -58.36 0 4 -1 60 296.412 7
Lo Low (pH 4.5-6) 2.86 6.84 -6.41 1 4 0 58 297.42 7

Activity (Go SEA)

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