UCSF

ZINC18175766

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 26 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) 4.34 8.43 -20.79 2 6 0 80 388.88 7
Mid Mid (pH 6-8) 4.34 8.27 -45.56 1 6 -1 78 387.872 7

Activity (Go SEA)

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