UCSF

ZINC36148679

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 2.03 5.33 -36.51 2 5 1 60 294.371 8
Mid Mid (pH 6-8) 2.03 3.15 -9.12 1 5 0 59 293.363 8

Activity (Go SEA)

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