UCSF

ZINC58342103

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 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) 1.12 2.22 -56.79 0 5 -1 73 271.296 4
Mid Mid (pH 6-8) 0.94 4.77 -15.06 1 5 0 66 272.304 4
Mid Mid (pH 6-8) 0.94 4.77 -15.82 1 5 0 66 272.304 4

Activity (Go SEA)

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

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