UCSF

ZINC55370325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 27 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) 1.19 5.76 -23.38 0 7 0 64 369.421 6
Mid Mid (pH 6-8) 1.19 6.36 -52.5 1 7 1 65 370.429 6

Activity (Go SEA)

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