UCSF

ZINC22073588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 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) 2.26 6.61 -34.75 2 2 1 20 219.352 5
Mid Mid (pH 6-8) 2.26 7.34 -34.48 2 2 1 16 219.352 5
Lo Low (pH 4.5-6) 2.26 8.63 -117.32 3 2 2 21 220.36 5

Activity (Go SEA)

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