UCSF

ZINC11535681

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 10 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) 2.01 -2.11 -7.9 0 1 0 13 185.298 0
Lo Low (pH 4.5-6) 2.01 -2.02 -40.84 1 1 1 14 186.306 0

Activity (Go SEA)

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

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