UCSF

ZINC21805110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.12 7.62 -33.14 3 2 1 29 275.46 3
Mid Mid (pH 6-8) 4.12 8.88 -105.98 4 2 2 33 276.468 3

Activity (Go SEA)

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