UCSF

ZINC35433225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 3.24 8.98 -59.74 0 5 -1 61 272.328 3
Mid Mid (pH 6-8) 3.24 9.43 -45.69 1 5 0 62 273.336 3
Mid Mid (pH 6-8) 3.24 9.6 -34.49 1 5 0 62 273.336 3

Activity (Go SEA)

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