UCSF

ZINC13726717

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 2.33 5.07 -8.56 4 5 0 87 284.241 4
Mid Mid (pH 6-8) 2.33 5.37 -36.57 5 5 1 88 285.249 4
Mid Mid (pH 6-8) 2.33 1.66 -34.65 5 5 1 88 285.249 4

Activity (Go SEA)

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