UCSF

ZINC19200177

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 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) 3.72 9.29 -9.07 2 5 0 101 371.488 4
Mid Mid (pH 6-8) 3.72 10.78 -50.71 3 5 1 102 372.496 4

Activity (Go SEA)

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