UCSF

ZINC62936819

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 17 No

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) -0.78 0.35 -53.16 1 6 -1 90 239.251 3
Hi High (pH 8-9.5) -0.78 3.11 -50.48 2 6 0 91 240.259 3
Mid Mid (pH 6-8) -0.60 0.58 -56.42 1 6 -1 97 239.251 3

Activity (Go SEA)

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

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