UCSF

ZINC22124160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.40 4.59 -61.54 1 6 -1 95 273.268 4
Hi High (pH 8-9.5) 1.86 3.78 -124.95 0 6 -2 98 272.26 4

Activity (Go SEA)

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