UCSF

ZINC21538187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 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) 5.82 15.33 -9.03 0 5 0 39 492.545 6
Mid Mid (pH 6-8) 3.34 17.11 -18.7 1 5 0 49 492.545 6
Mid Mid (pH 6-8) 3.34 15.04 -44.97 2 5 1 50 493.553 6

Activity (Go SEA)

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

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