UCSF

ZINC37047166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.98 3.76 -44.78 1 7 -1 113 355.175 6
Hi High (pH 8-9.5) 1.98 3.65 -97.42 0 7 -2 115 354.167 6

Activity (Go SEA)

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