UCSF

ZINC10254412

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 33 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) 4.15 -2.87 -21.8 0 6 0 80 479.627 6
Lo Low (pH 4.5-6) 4.15 -2.76 -57.85 1 6 1 81 480.635 6

Activity (Go SEA)

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