UCSF

ZINC49560623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 3.12 3.81 -13.32 4 6 0 100 324.431 3
Mid Mid (pH 6-8) 2.19 3.26 -51.32 3 6 -1 99 323.423 4
Lo Low (pH 4.5-6) 3.12 3.61 -50.5 5 6 1 102 325.439 3

Activity (Go SEA)

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

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