UCSF

ZINC22937259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 0.80 -0.5 -7.59 2 5 0 54 280.368 8
Mid Mid (pH 6-8) 0.80 0.85 -48.92 3 5 1 59 281.376 8
Lo Low (pH 4.5-6) 0.80 1.75 -41.17 3 5 1 55 281.376 8

Activity (Go SEA)

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