UCSF

ZINC48894647

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 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) 1.65 6.95 -13.46 0 6 0 76 274.324 4
Mid Mid (pH 6-8) 1.65 8.83 -53.33 1 6 1 77 275.332 4

Activity (Go SEA)

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