UCSF

ZINC14922844

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 28 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) 6.03 10.79 -9.76 0 4 0 38 375.516 4
Mid Mid (pH 6-8) 6.03 13.44 -40.13 1 4 1 39 376.524 4

Activity (Go SEA)

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