UCSF

ZINC62951983

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.67 8.05 -40.79 3 2 1 31 307.527 4
Hi High (pH 8-9.5) 3.67 7.75 -1.22 2 2 0 29 306.519 4
Mid Mid (pH 6-8) 3.67 9.79 -115.04 4 2 2 32 308.535 4
Mid Mid (pH 6-8) 3.67 9.46 -29.87 3 2 1 30 307.527 4

Activity (Go SEA)

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

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