UCSF

ZINC01445066

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 20 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) 4.57 2 -7.19 3 4 0 73 401.054 2
Mid Mid (pH 6-8) 4.57 3.55 -109.69 1 4 -2 79 399.038 2
Mid Mid (pH 6-8) 4.57 2.77 -40.3 2 4 -1 76 400.046 2
Lo Low (pH 4.5-6) 4.57 2.51 -34.06 4 4 1 75 402.062 2

Activity (Go SEA)

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

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