UCSF

ZINC25393908

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 32 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) 3.91 5.95 -13.35 2 7 0 88 480.03 8
Mid Mid (pH 6-8) 3.91 6.02 -38.38 1 7 -1 90 479.022 8
Mid Mid (pH 6-8) 3.91 7.93 -50.46 3 7 1 89 481.038 8

Activity (Go SEA)

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