UCSF

ZINC62953005

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 3.58 8.76 -30.95 2 2 1 16 273.444 3
Hi High (pH 8-9.5) 3.58 6.55 -1.22 1 2 0 15 272.436 3
Lo Low (pH 4.5-6) 3.58 9.78 -115.69 3 2 2 21 274.452 3

Activity (Go SEA)

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

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