UCSF

ZINC69780285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 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) 1.08 3.4 -40.43 2 6 1 70 295.407 6
Mid Mid (pH 6-8) 1.08 1.04 -14.21 1 6 0 69 294.399 6

Activity (Go SEA)

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

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