UCSF

ZINC35164197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 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) 2.01 5.55 -42.14 1 5 1 57 276.769 4
Mid Mid (pH 6-8) 2.01 3.33 -8.24 0 5 0 55 275.761 4

Activity (Go SEA)

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