UCSF

ZINC35605151

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 11 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) -1.14 -2.77 -41.3 5 4 1 77 161.225 4
Hi High (pH 8-9.5) -1.14 -3.08 -7.44 4 4 0 75 160.217 4

Activity (Go SEA)

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