UCSF

ZINC19361449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 22 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) 3.93 9.91 -37.54 1 2 1 8 364.282 4
Mid Mid (pH 6-8) 3.93 9.85 -36.68 1 2 1 8 364.282 4
Mid Mid (pH 6-8) 3.93 7.53 -4.69 0 2 0 6 363.274 4

Activity (Go SEA)

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