UCSF

ZINC20294328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 0.81 1.98 -46.27 6 6 1 103 291.375 6
Hi High (pH 8-9.5) 0.81 -0.36 -17.87 5 6 0 101 290.367 6

Activity (Go SEA)

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