UCSF

ZINC43425937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -0.25 -0.82 -8.26 1 6 0 62 275.374 2
Mid Mid (pH 6-8) -0.25 0.42 -55.43 2 6 1 66 276.382 2

Activity (Go SEA)

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