UCSF

ZINC10254405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 32 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) 4.00 -3.62 -19.72 0 6 0 80 486.018 6
Lo Low (pH 4.5-6) 4.00 -3.51 -57.78 1 6 1 81 487.026 6

Activity (Go SEA)

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