UCSF

ZINC40161831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2010 21 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) 3.44 9.71 -48.29 1 3 1 23 306.813 6
Hi High (pH 8-9.5) 3.44 7.37 -7.44 0 3 0 22 305.805 6

Activity (Go SEA)

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