UCSF

ZINC61364510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 17 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) 1.25 3.91 -8.99 1 6 0 68 246.299 3
Lo Low (pH 4.5-6) 1.25 4.38 -48.8 2 6 1 69 247.307 3

Activity (Go SEA)

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

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