UCSF

ZINC40446144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 21 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) 1.83 3.05 -40.9 2 5 1 54 381.291 5
Mid Mid (pH 6-8) 1.83 2.93 -44.04 2 5 1 54 381.291 5
Mid Mid (pH 6-8) 1.83 0.67 -7.59 1 5 0 53 380.283 5

Activity (Go SEA)

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

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