UCSF

ZINC21054828

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 22 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) 2.71 5.08 -7.05 1 4 0 42 308.397 4
Mid Mid (pH 6-8) 2.71 7.02 -42.88 2 4 1 43 309.405 4

Activity (Go SEA)

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