UCSF

ZINC61455513

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 17 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) 1.06 3.82 -28.54 3 3 1 34 240.415 5
Hi High (pH 8-9.5) 1.06 4.33 -31.69 3 3 1 34 240.415 5
Mid Mid (pH 6-8) 1.06 4.67 -103.82 4 3 2 35 241.423 5
Lo Low (pH 4.5-6) 1.06 6.52 -216.7 5 3 3 37 242.431 5
Lo Low (pH 4.5-6) 1.06 4.28 -121.1 4 3 2 35 241.423 5

Activity (Go SEA)

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

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