UCSF

ZINC41635689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 10 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) 1.65 6.5 -31.64 1 1 1 4 138.234 1
Mid Mid (pH 6-8) 1.65 4.22 -2.24 0 1 0 3 137.226 1

Activity (Go SEA)

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