UCSF

ZINC37859137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.11 -0.64 -10.83 1 7 0 89 310.397 8
Mid Mid (pH 6-8) 0.56 -2.76 -41.56 0 7 -1 92 309.389 8

Activity (Go SEA)

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