UCSF

ZINC35986195

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 35 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) 3.41 9.34 -59.96 4 8 0 128 474.609 6
Mid Mid (pH 6-8) 3.41 9.79 -45.92 5 8 1 130 475.617 6

Activity (Go SEA)

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