UCSF

ZINC05593843

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 15 Yes

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) 2.80 5.14 -5.32 3 3 0 55 201.273 1
Mid Mid (pH 6-8) 2.80 5.27 -27.27 4 3 1 56 202.281 1

Activity (Go SEA)

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