UCSF

ZINC59540214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) -0.86 -0.13 -9.17 4 5 0 79 223.276 4
Lo Low (pH 4.5-6) -0.86 -0.27 -48.31 5 5 1 80 224.284 4

Activity (Go SEA)

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