UCSF

ZINC25371224

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 4.57 9.62 -30.22 2 3 1 39 298.797 3
Mid Mid (pH 6-8) 4.57 9.54 -11.48 1 3 0 38 297.789 3

Activity (Go SEA)

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