UCSF

ZINC36386408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 28 No

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) -0.90 11.34 -34.66 2 6 1 64 379.484 6
Mid Mid (pH 6-8) -0.90 13.6 -100.84 3 6 2 66 380.492 6

Activity (Go SEA)

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