UCSF

ZINC40448681

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 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) -1.00 -1.68 -39.55 3 3 1 40 157.237 1
Hi High (pH 8-9.5) -1.00 -3.36 -2.99 2 3 0 35 156.229 1
Mid Mid (pH 6-8) -1.00 0.49 -112.86 4 3 2 41 158.245 1
Lo Low (pH 4.5-6) -1.00 -1.19 -34 3 3 1 37 157.237 1

Activity (Go SEA)

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

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