UCSF

ZINC35585134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 12 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) -0.60 1.67 -88.77 4 3 2 35 171.288 3
Mid Mid (pH 6-8) -0.60 -0.56 -42.56 3 3 1 34 170.28 3

Activity (Go SEA)

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