UCSF

ZINC36611318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 31 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) 3.11 8.86 -38.96 3 8 1 90 432.541 9
Mid Mid (pH 6-8) 3.11 6.82 -7.78 2 8 0 89 431.533 9

Activity (Go SEA)

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