UCSF

ZINC37039486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.28 4.38 -47.46 3 5 1 60 222.316 3
Lo Low (pH 4.5-6) -0.28 6.18 -118.89 4 5 2 61 223.324 3

Activity (Go SEA)

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