UCSF

ZINC19995311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) -1.51 3.71 -17.03 2 8 0 102 277.284 5
Ref Reference (pH 7) -1.51 3.71 -17.11 2 8 0 102 277.284 5
Mid Mid (pH 6-8) -1.51 4.22 -44.94 3 8 1 103 278.292 5
Mid Mid (pH 6-8) -1.51 4.22 -44.72 3 8 1 103 278.292 5

Activity (Go SEA)

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