UCSF

ZINC35367754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 1.81 6.22 -83.08 4 4 2 48 236.363 3
Hi High (pH 8-9.5) 1.81 3.83 -4.66 2 4 0 45 234.347 3
Mid Mid (pH 6-8) 1.81 4.29 -27.69 3 4 1 47 235.355 3
Mid Mid (pH 6-8) 1.81 5.77 -38.69 3 4 1 47 235.355 3

Activity (Go SEA)

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