UCSF

ZINC52277017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 0.94 2.03 -39.07 3 4 1 55 201.29 7
Hi High (pH 8-9.5) 0.94 0.73 -7.96 2 4 0 50 200.282 7

Activity (Go SEA)

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