UCSF

ZINC16735127

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) 3.23 6.87 -16.11 1 6 0 76 413.495 10
Mid Mid (pH 6-8) 2.65 7.54 -24.48 0 6 0 73 413.495 10

Activity (Go SEA)

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