UCSF

ZINC00020745

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 22 No

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) 2.11 -0.69 -13.38 2 5 0 85 286.294 1
Lo Low (pH 4.5-6) 2.11 -0.59 -42.03 3 5 1 86 287.302 1

Activity (Go SEA)

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