UCSF

ZINC63957660

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 25 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) 1.02 3.57 -43.93 4 8 1 105 350.395 9
Mid Mid (pH 6-8) 1.02 1.59 -10.5 3 8 0 104 349.387 9

Activity (Go SEA)

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

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