UCSF

ZINC40885689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 15 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) 3.17 8.64 -4.53 0 2 0 16 226.751 4
Mid Mid (pH 6-8) 3.17 9.02 -27.65 1 2 1 17 227.759 4

Activity (Go SEA)

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