UCSF

ZINC13677314

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 3.60 3.85 -21.33 3 9 0 131 489.575 8
Hi High (pH 8-9.5) 3.60 3.94 -51.18 2 9 -1 133 488.567 8
Hi High (pH 8-9.5) 3.60 3.94 -44.01 2 9 -1 133 488.567 8
Hi High (pH 8-9.5) 3.60 4.04 -95.08 1 9 -2 135 487.559 8

Activity (Go SEA)

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

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