UCSF

ZINC42459876

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.07 2.4 -46.09 3 5 1 58 213.305 5
Hi High (pH 8-9.5) -0.07 2 -5.28 2 5 0 56 212.297 5
Lo Low (pH 4.5-6) -0.07 2.54 -98.75 4 5 2 59 214.313 5

Activity (Go SEA)

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