UCSF

ZINC22155554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 Yes

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) -0.06 1.13 -54.38 5 6 1 89 263.321 4
Hi High (pH 8-9.5) -0.06 -1.25 -15.36 4 6 0 87 262.313 4

Activity (Go SEA)

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