UCSF

ZINC44659683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) -0.97 0.06 -7.29 1 6 0 81 200.194 5
Mid Mid (pH 6-8) -0.51 -2.62 -34.96 0 6 -1 84 199.186 5

Activity (Go SEA)

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