UCSF

ZINC44610012

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) -0.26 4.65 -47 0 8 -1 99 235.227 5
Lo Low (pH 4.5-6) -0.26 2.68 -15.59 1 8 0 97 236.235 5

Activity (Go SEA)

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