UCSF

ZINC35115339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) -0.28 0.94 -41.51 3 4 1 63 162.209 6
Mid Mid (pH 6-8) -0.28 -0.42 -6.57 2 4 0 59 161.201 6

Activity (Go SEA)

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