UCSF

ZINC17779898

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 24 No

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) 6.39 10.61 -8.54 1 3 0 45 334.444 3
Mid Mid (pH 6-8) 5.90 10.12 -44.86 0 3 -1 44 333.436 4

Activity (Go SEA)

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