UCSF

ZINC16732222

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 5.04 10.84 -13.48 1 8 0 106 520.607 10
Mid Mid (pH 6-8) 4.46 11.5 -17.1 0 8 0 103 520.607 10

Activity (Go SEA)

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