UCSF

ZINC16734470

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 4.27 9.78 -61.67 0 7 -1 88 464.538 13
Mid Mid (pH 6-8) 4.72 8.69 -29.49 1 7 0 85 465.546 12
Mid Mid (pH 6-8) 3.69 9.67 -24.75 0 7 0 82 465.546 13

Activity (Go SEA)

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