UCSF

ZINC35746073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) 1.75 3.86 -43.96 3 4 1 59 228.341 5
Hi High (pH 8-9.5) 2.31 1.96 -9.02 2 4 0 57 227.333 4
Mid Mid (pH 6-8) 1.57 2.63 -34.49 2 4 0 65 227.333 5

Activity (Go SEA)

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