UCSF

ZINC36613182

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) 1.22 7.53 -118.67 1 8 -2 132 474.31 7
Hi High (pH 8-9.5) 1.22 8.44 -169.36 0 8 -3 135 473.302 7

Activity (Go SEA)

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