UCSF

ZINC21531423

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 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) 3.27 5.89 -66.37 2 6 1 71 412.894 5
Mid Mid (pH 6-8) 3.27 6.79 -19.26 1 6 0 70 411.886 5

Activity (Go SEA)

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