UCSF

ZINC69985654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 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) 1.07 3.87 -34.26 0 3 -1 40 204.278 1
Mid Mid (pH 6-8) 1.07 4.44 -7.69 1 3 0 42 205.286 1
Lo Low (pH 4.5-6) 1.07 5.29 -102 3 3 2 44 207.302 1

Activity (Go SEA)

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

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