UCSF

ZINC38003537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 2.50 3.65 -8.41 2 3 0 41 300.202 6
Mid Mid (pH 6-8) 2.50 5.02 -54.98 3 3 1 46 301.21 6

Activity (Go SEA)

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