UCSF

ZINC16736918

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) 4.47 12.21 -17.57 1 7 0 97 494.956 7
Mid Mid (pH 6-8) 3.89 13.02 -25.58 0 7 0 94 494.956 7

Activity (Go SEA)

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