UCSF

ZINC22462560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 13 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) 0.00 1.13 -87.87 5 3 2 47 187.331 6
Lo Low (pH 4.5-6) 0.00 2.04 -85.87 5 3 2 44 187.331 6

Activity (Go SEA)

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