UCSF

ZINC36986892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 1.12 4.07 -51.02 4 6 1 82 294.375 5
Mid Mid (pH 6-8) 1.12 2.09 -10.23 3 6 0 80 293.367 5

Activity (Go SEA)

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