UCSF

ZINC49539685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 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) 0.94 11.24 -35.11 4 8 1 110 463.587 8
Mid Mid (pH 6-8) 3.00 11.25 -15.56 3 8 0 109 462.579 8

Activity (Go SEA)

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