UCSF

ZINC37372306

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) 0.14 0.6 -46.61 3 6 1 91 299.372 6
Hi High (pH 8-9.5) 0.14 -0.73 -12.96 2 6 0 87 298.364 6

Activity (Go SEA)

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