UCSF

ZINC37873081

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 11 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) -0.73 -2.25 -35.29 3 4 1 55 162.209 4
Mid Mid (pH 6-8) -0.73 -3.42 -4.8 2 4 0 51 161.201 4

Activity (Go SEA)

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