UCSF

ZINC69501132

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 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) 0.85 5.19 -49.74 3 3 1 53 256.354 2
Mid Mid (pH 6-8) 0.85 4.85 -11.9 2 3 0 52 255.346 2

Activity (Go SEA)

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

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