UCSF

ZINC33836671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 15 No

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) -0.02 2.32 -113.95 2 4 -2 90 218.237 1
Mid Mid (pH 6-8) -0.02 1.58 -30.71 3 4 -1 87 219.245 1
Mid Mid (pH 6-8) -0.02 1.58 -33.15 3 4 -1 87 219.245 1
Mid Mid (pH 6-8) -0.02 1.58 -41.63 3 4 -1 87 219.245 1
Mid Mid (pH 6-8) -0.02 1.58 -47.05 3 4 -1 87 219.245 1

Activity (Go SEA)

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

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