UCSF

ZINC43364616

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 18 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) 0.90 3.23 -106.49 5 4 2 65 254.374 5
Mid Mid (pH 6-8) 0.90 2.92 -26.86 4 4 1 64 253.366 5

Activity (Go SEA)

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