UCSF

ZINC19470650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) -0.01 -0.05 -11.8 4 6 0 95 264.329 4
Mid Mid (pH 6-8) -0.01 0.23 -38.66 5 6 1 96 265.337 4

Activity (Go SEA)

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