UCSF

ZINC42691091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.30 3.07 -94.47 4 3 2 35 189.347 7
Hi High (pH 8-9.5) 0.30 0.79 -42.52 3 3 1 34 188.339 7
Lo Low (pH 4.5-6) 0.30 4.89 -206.17 5 3 3 37 190.355 7

Activity (Go SEA)

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