UCSF

ZINC35115344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 10 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) -0.66 -1.41 -7.61 2 4 0 59 147.174 5
Mid Mid (pH 6-8) -0.66 0.01 -41.79 3 4 1 63 148.182 5

Activity (Go SEA)

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