UCSF

ZINC53299015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 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) 0.55 3.59 -49 2 4 1 40 280.314 6
Mid Mid (pH 6-8) 0.55 2.3 -8.25 1 4 0 36 279.306 6
Lo Low (pH 4.5-6) 0.55 5.67 -101.86 3 4 2 41 281.322 6

Activity (Go SEA)

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

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