UCSF

ZINC19339917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 18 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) 1.72 5.69 -40.82 3 6 1 88 245.262 2
Ref Reference (pH 7) 1.72 5.71 -40.54 3 6 1 88 245.262 2
Mid Mid (pH 6-8) 1.72 6.56 -55.65 3 6 1 91 245.262 2
Mid Mid (pH 6-8) 1.72 5.23 -10.07 2 6 0 87 244.254 2
Mid Mid (pH 6-8) 1.72 5.24 -12.01 2 6 0 87 244.254 2

Activity (Go SEA)

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

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