UCSF

ZINC36359790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 2.63 7.37 -9.51 0 5 0 42 341.386 3
Mid Mid (pH 6-8) 2.63 9.72 -48.15 1 5 1 43 342.394 3

Activity (Go SEA)

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