UCSF

ZINC13677172

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 22 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) 0.85 2.33 -19 2 6 0 88 319.386 5
Hi High (pH 8-9.5) 0.85 2.41 -47.06 1 6 -1 90 318.378 5
Lo Low (pH 4.5-6) 0.85 2.6 -52.84 3 6 1 89 320.394 5

Activity (Go SEA)

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

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