UCSF

ZINC20294282

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) 0.55 2.07 -45.7 6 6 1 103 291.375 5
Hi High (pH 8-9.5) 0.55 -0.16 -19.65 5 6 0 101 290.367 5

Activity (Go SEA)

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