UCSF

ZINC20581804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 15 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) 1.82 5.37 -60.36 2 4 0 42 244.389 4
Hi High (pH 8-9.5) 1.82 3.14 -42.3 1 4 -1 41 243.381 4

Activity (Go SEA)

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