UCSF

ZINC23054812

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 27 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) 3.63 8.39 -19.16 1 6 0 77 386.452 4
Mid Mid (pH 6-8) 3.63 8.46 -43.03 0 6 -1 79 385.444 4

Activity (Go SEA)

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