UCSF

ZINC69848745

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 26 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) 1.04 4.43 -40.91 0 6 -1 86 348.382 4
Mid Mid (pH 6-8) 0.86 6.18 -13.75 1 6 0 79 349.39 4
Mid Mid (pH 6-8) 0.86 6.04 -14.98 1 6 0 79 349.39 4

Activity (Go SEA)

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

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