UCSF

ZINC02478016

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 12 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) 2.01 -0.52 -48.73 0 2 -1 36 175.236 0
Lo Low (pH 4.5-6) 2.01 -0.46 -26.07 1 2 0 37 176.244 0

Activity (Go SEA)

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