UCSF

ZINC52248843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 1.71 2.76 -10.48 2 4 0 67 244.674 5
Hi High (pH 8-9.5) 1.71 3.52 -43.59 1 4 -1 70 243.666 5

Activity (Go SEA)

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