UCSF

ZINC37803298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.75 5.17 -44.73 3 4 1 57 285.433 9
Mid Mid (pH 6-8) 1.75 4.87 -7.71 2 4 0 56 284.425 9

Activity (Go SEA)

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