UCSF

ZINC42205359

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) -0.36 0.56 -39.83 3 5 1 55 218.321 9
Hi High (pH 8-9.5) -0.36 -0.54 -42.46 3 5 1 58 218.321 9
Hi High (pH 8-9.5) -0.36 -1.91 -7.85 2 5 0 54 217.313 9
Lo Low (pH 4.5-6) -0.36 1.93 -113.92 4 5 2 59 219.329 9

Activity (Go SEA)

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