UCSF

ZINC16734938

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

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) 3.54 8.98 -56.17 0 7 -1 88 489.331 5
Mid Mid (pH 6-8) 3.99 8.09 -29.12 1 7 0 85 490.339 4
Mid Mid (pH 6-8) 2.96 9.04 -16.92 0 7 0 82 490.339 5

Activity (Go SEA)

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