UCSF

ZINC36169796

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 1.83 5.19 -99.64 5 3 2 56 199.342 4
Mid Mid (pH 6-8) -1.46 5.32 -26.51 5 3 1 56 198.334 4

Activity (Go SEA)

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