UCSF

ZINC37394423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 1.37 5.5 -56.44 2 6 1 71 284.332 9
Mid Mid (pH 6-8) 1.37 4.14 -12.31 1 6 0 66 283.324 9

Activity (Go SEA)

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