UCSF

ZINC21147157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 37 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) 3.08 9.39 -18.77 1 10 0 102 500.559 7
Mid Mid (pH 6-8) 3.08 9.78 -53.64 2 10 1 103 501.567 7

Activity (Go SEA)

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