UCSF

ZINC16737064

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 29 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) 1.97 2.56 -13.99 3 7 0 107 395.411 8
Mid Mid (pH 6-8) 1.38 3.27 -18.73 2 7 0 104 395.411 8

Activity (Go SEA)

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