UCSF

ZINC49544857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.13 3.17 -67.29 0 8 -1 105 336.378 4
Mid Mid (pH 6-8) 0.06 3.78 -19.19 1 8 0 98 337.386 4
Mid Mid (pH 6-8) 0.13 3.66 -69.67 1 8 0 106 337.386 4
Lo Low (pH 4.5-6) 0.06 4.27 -49.51 2 8 1 100 338.394 4

Activity (Go SEA)

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

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