UCSF

ZINC20606203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 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) 5.51 11.57 -55.04 0 4 -1 60 429.323 4
Lo Low (pH 4.5-6) 5.51 10.75 -10.85 1 4 0 58 430.331 4

Activity (Go SEA)

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