UCSF

ZINC21800170

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 6.58 11.66 -51.88 2 1 1 17 364.123 4
Mid Mid (pH 6-8) 6.58 10.55 -5.39 1 1 0 12 363.115 4

Activity (Go SEA)

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