UCSF

ZINC36613143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 27 No

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) 1.09 7.55 -121.22 1 8 -2 132 429.859 7
Hi High (pH 8-9.5) 1.09 8.46 -171.54 0 8 -3 135 428.851 7

Activity (Go SEA)

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