UCSF

ZINC42463162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.87 0.91 -41.07 2 4 1 38 229.344 3
Hi High (pH 8-9.5) 0.87 0.86 -3.59 1 4 0 34 228.336 3
Lo Low (pH 4.5-6) 0.87 2.9 -109.5 3 4 2 40 230.352 3

Activity (Go SEA)

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