UCSF

ZINC61698353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 4.08 11.11 -50.9 2 3 1 34 300.813 4
Hi High (pH 8-9.5) 4.08 10.01 -7.64 1 3 0 30 299.805 4
Lo Low (pH 4.5-6) 4.08 11.58 -88.06 3 3 2 36 301.821 4

Activity (Go SEA)

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

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