UCSF

ZINC22073586

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) 2.61 7.03 -34.49 2 2 1 20 221.368 7
Mid Mid (pH 6-8) 2.61 7.45 -33.61 2 2 1 16 221.368 7
Lo Low (pH 4.5-6) 2.61 8.73 -115.54 3 2 2 21 222.376 7

Activity (Go SEA)

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