UCSF

ZINC21640044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 2.66 7.29 -11.44 0 6 0 51 354.454 5
Mid Mid (pH 6-8) 2.66 9.69 -46.29 1 6 1 52 355.462 5
Lo Low (pH 4.5-6) 2.66 7.5 -35 1 6 1 52 355.462 5

Activity (Go SEA)

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