UCSF

ZINC19259760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 21 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) 0.23 4.34 -45.71 3 6 1 69 294.375 4
Mid Mid (pH 6-8) 0.23 2.08 -9.36 2 6 0 68 293.367 4

Activity (Go SEA)

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