UCSF

ZINC20464171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 30 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) 3.69 7.88 -57.56 3 8 1 108 423.884 4
Mid Mid (pH 6-8) 3.69 5.38 -17.26 2 8 0 107 422.876 4

Activity (Go SEA)

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