UCSF

ZINC10233719

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 29 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) 3.92 2.68 -13.86 0 7 0 66 393.491 5
Mid Mid (pH 6-8) 3.92 2.95 -32.74 1 7 1 67 394.499 5

Activity (Go SEA)

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