UCSF

ZINC48251520

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 23 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) 1.05 1.07 -17.41 1 7 0 79 347.481 5
Mid Mid (pH 6-8) 1.05 3.11 -53.45 2 7 1 80 348.489 5

Activity (Go SEA)

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