UCSF

ZINC34617181

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 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) 4.44 12.01 -14.14 0 6 0 77 411.461 7
Lo Low (pH 4.5-6) 4.44 12.67 -32.18 1 6 1 78 412.469 7

Activity (Go SEA)

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