UCSF

ZINC35402184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 4.45 7.67 -13.52 2 8 0 132 359.121 4
Mid Mid (pH 6-8) 4.45 8.66 -33.61 1 8 -1 135 358.113 4

Activity (Go SEA)

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