UCSF

ZINC48300459

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 29 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) 1.99 8.29 -46.92 4 9 1 122 399.475 8
Mid Mid (pH 6-8) 1.99 6.07 -9.44 3 9 0 120 398.467 8

Activity (Go SEA)

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