UCSF

ZINC16805527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 37 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) 5.85 13.38 -16.66 1 7 0 97 522.598 8
Mid Mid (pH 6-8) 5.27 14.07 -21.46 0 7 0 94 522.598 8

Activity (Go SEA)

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