UCSF

ZINC23359668

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 31 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) 1.73 6.86 -46.85 1 8 1 72 424.525 4
Mid Mid (pH 6-8) 1.73 6.9 -50.22 1 8 1 72 424.525 4
Mid Mid (pH 6-8) 1.73 4.65 -13.84 0 8 0 71 423.517 4

Activity (Go SEA)

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