UCSF

ZINC00539103

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 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) 2.33 1.57 -40.64 1 5 -1 78 262.676 2
Mid Mid (pH 6-8) 2.33 -2.1 -14.38 2 5 0 75 263.684 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.