UCSF

ZINC42976469

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 3.54 9.65 -35.42 1 2 1 14 260.332 6
Mid Mid (pH 6-8) 3.54 7.27 -5.6 0 2 0 12 259.324 6

Activity (Go SEA)

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