UCSF

ZINC69472870

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

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) 2.82 5.21 -46.53 3 4 1 58 267.356 4
Mid Mid (pH 6-8) 2.82 6.25 -34.4 3 4 1 58 267.356 4
Mid Mid (pH 6-8) 2.82 4.9 -8.83 2 4 0 57 266.348 4

Activity (Go SEA)

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

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