UCSF

ZINC36136393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) -1.34 2.67 -47.43 4 5 1 77 276.36 3
Mid Mid (pH 6-8) -1.34 2.34 -13.94 3 5 0 75 275.352 3

Activity (Go SEA)

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