UCSF

ZINC22156923

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 0.17 2.38 -73.4 2 7 0 98 287.341 4
Mid Mid (pH 6-8) 0.17 0.11 -51.65 1 7 -1 97 286.333 4

Activity (Go SEA)

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