UCSF

ZINC21796527

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 3.83 8.24 -136.73 4 2 2 32 291.266 7
Mid Mid (pH 6-8) 3.83 6.07 -49.69 3 2 1 31 290.258 7

Activity (Go SEA)

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