UCSF

ZINC22174748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 3.62 4.53 -48.26 3 4 1 59 287.383 5
Mid Mid (pH 6-8) 3.62 4.14 -6.33 2 4 0 57 286.375 5

Activity (Go SEA)

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