UCSF

ZINC62942701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 1.46 8.17 -73.99 1 5 0 61 267.354 2
Mid Mid (pH 6-8) 1.46 6.59 -52 0 5 -1 59 266.346 2
Lo Low (pH 4.5-6) 1.46 8.65 -88.44 2 5 1 62 268.362 2

Activity (Go SEA)

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

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