UCSF

ZINC35623860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 36 No

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) 4.97 13.12 -17.34 0 9 0 120 492.528 8
Mid Mid (pH 6-8) 5.16 12.58 -15.09 0 9 0 120 492.528 8

Activity (Go SEA)

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

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