UCSF

ZINC20581488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 16 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) 2.40 5.53 -60.79 2 4 0 42 260.432 6
Hi High (pH 8-9.5) 2.40 3.46 -42.2 1 4 -1 41 259.424 6

Activity (Go SEA)

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