UCSF

ZINC22915123

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 0.78 -1.34 -7.98 2 4 0 50 239.241 4
Mid Mid (pH 6-8) 0.78 0.7 -37.27 3 4 1 51 240.249 4
Mid Mid (pH 6-8) 0.78 0.78 -41.09 3 4 1 51 240.249 4

Activity (Go SEA)

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