UCSF

ZINC95869817

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 28 Yes

Other Names:

MFCD00135195

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) 4.22 11.35 -39.2 1 3 1 11 410.529 5
Hi High (pH 8-9.5) 4.22 8.98 -6.64 0 3 0 10 409.521 5
Hi High (pH 8-9.5) 4.22 11.23 -46.12 1 3 1 11 410.529 5

Activity (Go SEA)

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

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