UCSF

ZINC42272104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 2.30 5.56 -10.68 1 4 0 53 270.332 4
Hi High (pH 8-9.5) 2.30 6.33 -55.92 0 4 -1 56 269.324 4
Lo Low (pH 4.5-6) 2.30 6.01 -39.19 2 4 1 55 271.34 4

Activity (Go SEA)

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