UCSF

ZINC20252805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 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) 0.37 2.21 -36.63 2 3 1 39 187.288 5
Hi High (pH 8-9.5) 0.37 0.71 -7.7 1 3 0 34 186.28 5

Activity (Go SEA)

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