UCSF

ZINC95884216

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 15 No

Other Names:

MFCD03844752

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) 1.45 6.55 -47.04 0 3 -1 49 209.196 4
Lo Low (pH 4.5-6) 1.98 6.76 -11.39 0 3 0 43 210.204 5

Activity (Go SEA)

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

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