UCSF

ZINC28218970

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 19 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) 1.46 3.06 -83.31 3 6 -1 117 264.257 2
Hi High (pH 8-9.5) 1.46 2.78 -105.53 2 6 -2 116 263.249 2

Activity (Go SEA)

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