UCSF

ZINC41681647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.25 6.13 -88.89 3 3 2 24 231.428 10
Hi High (pH 8-9.5) 2.25 5.11 -33.22 2 3 1 20 230.42 10
Hi High (pH 8-9.5) 2.25 3.65 -35.03 2 3 1 23 230.42 10
Lo Low (pH 4.5-6) 2.25 8.23 -204.83 4 3 3 25 232.436 10

Activity (Go SEA)

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